SCHEMBL9607829

SCHEMBL9607829

CCc1cncc(C(N)=O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.52
CYP11B2 P19099 3/20 0.48
CYP11B1 P15538 2/20 0.48
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MKNK1 Q9BUB5 2/20 0.44
MKNK2 Q9HBH9 2/20 0.44
SIRT2 Q8IXJ6 6/20 0.43
SIRT3 Q9NTG7 6/20 0.43
SIRT1 Q96EB6 5/20 0.43
PARP1 P09874 1/20 0.43
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAF1 P04049 1/20 0.42
PKMYT1 Q99640 1/20 0.42
F7 P08709 1/20 0.41
F3 P13726 1/20 0.41
SARM1 Q6SZW1 1/20 0.41
SIRT6 Q8N6T7 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31046827 1.00 SMYD3 (0.52) SMYD3CYP11B2CYP11B1MAPTHTT
Hydrochloric Acid SCHEMBL29793528 0.98 SMYD3 (0.51) SMYD3CYP11B2CYP11B1MAPTHTT
SCHEMBL18340498 0.82 CYP11B2 (0.49) CYP11B2CYP11B1MKNK1MKNK2SIRT2
SCHEMBL30281282 0.82 CYP2C9 (0.61) SMYD3MAPTHTTSMN1; SMN2MKNK1
SCHEMBL509510 0.82 CYP11B2 (0.49) SMYD3CYP11B2CYP11B1MKNK1MKNK2
SCHEMBL846393 0.82 CYP2C9 (0.61) SMYD3MAPTHTTSMN1; SMN2MKNK1
SCHEMBL7666563 0.82 CYP11B1 (0.49) CYP11B2CYP11B1MKNK1MKNK2SIRT2
SCHEMBL11620686 0.82 SMYD3 (0.50) SMYD3CYP11B2CYP11B1MAPTHTT
SCHEMBL16619814 0.81 KDM4E (0.64) SMYD3MAPTHTTSMN1; SMN2CYP2C9
SCHEMBL2530451 0.81 GPR84 (0.44) CYP11B2CYP11B1SMN1; SMN2L3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106459030-B Replace tropane derivatives 东亚荣养株式会社 2019-01-29 CN claimed
CN-118829631-A Pyrazine compounds as FLT3 inhibitors 拜欧米富士恩公司 2024-10-22 CN disclosed
WO-2024044778-A2 NOVEL MODULATORS OF FSHR AND USES THEREOF CELMATIX INC. (US) 2024-02-29 WO disclosed
EP-4143195-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 Janssen Pharmaceutica NV (BE) 2023-03-08 EP disclosed
US-20220402929-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF TOCOPHERX INC (US) 2022-12-22 US disclosed
US-20210147402-A1 COMPOUNDS AND METHODS OF PREPARING COMPOUNDS S1P1 MODULATORS TREVENA, INC. 2021-05-20 US disclosed
US-10941152-B2 Pyrazole compounds as modulators of FSHR and uses thereof ARES TRADING S.A. (CH) 2021-03-09 US disclosed
US-10858360-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-08 US disclosed
US-20190135823-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF TOCOPHERX, INC. 2019-05-09 US disclosed
WO-2019046784-A1 COMPOUNDS AND METHODS FOR MODULATING ADENOSINE A2B RECEPTOR AND ADENOSINE A2A RECEPTOR CORVUS PHARMACEUTICALS, INC. (US) 2019-03-07 WO disclosed
US-20100227894-A1 BENZAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2010-09-09 US disclosed
US-20090281139-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2009-11-12 US disclosed
US-7592331-B2 Macrocyclic factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-22 US disclosed
US-20090176781-A1 Acetylenic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. 2009-07-09 US disclosed
CN-101448836-A Pyridopyrimidinone derivatives HOFFMANN LA ROCHE (CH) 2009-06-03 CN disclosed
US-20080194803-A1 Cognitive Performance With Sirtuin Activators HOWARD HUGHES MEDICAL INSTITUTE 2008-08-14 US disclosed
EP-1414441-B1 HEPATITIS C VIRUS POLYMERASE INHIBITORS WITH HETEROBICYCLIC STRUCTURE BOEHRINGER INGELHEIM CA LTD (CA) 2008-01-02 EP disclosed
US-20070208054-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2007-09-06 US disclosed
US-20070149466-A1 Methods and related compositions for treating or preventing obesity, insulin resistance disorders, and mitochondrial-associated disorders SIRTRIS PHARMACEUTICALS, INC. 2007-06-28 US disclosed
US-20070014833-A1 Treatment of eye disorders with sirtuin modulators SIRTRIS PHARMACEUTICALS, INC. (US) 2007-01-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090176781-A1 Acetylenic Heteroaryl Compounds NAT1, AADAC, ACACA SMYD3 3717/4885CYP11B2 68/4885CYP11B1 106/4885
US-20190135823-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF FSHR, GNRHR, LHCGR SMYD3 3603/4885CYP11B2 142/4885CYP11B1 118/4885
US-20220402929-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF FSHR, GNRHR, LHCGR SMYD3 3603/4885CYP11B2 142/4885CYP11B1 118/4885
US-10858360-B2 Tricyclic gyrase inhibitors TOP1, TOP2A, TOP2B SMYD3 2719/4885CYP11B2 450/4885CYP11B1 313/4885
US-20210147402-A1 COMPOUNDS AND METHODS OF PREPARING COMPOUNDS S1P1 MODULATORS S1PR1, S1PR2, S1PR5 SMYD3 1365/4885CYP11B2 629/4885CYP11B1 410/4885
US-20090281139-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F12, F7, F2 SMYD3 4180/4885CYP11B2 1975/4885CYP11B1 1577/4885
US-20070014833-A1 Treatment of eye disorders with sirtuin modulators SIRT1, SIRT2, SIRT3 SMYD3 1255/4885CYP11B2 2281/4885CYP11B1 2363/4885
US-20070208054-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F12, F7, F2 SMYD3 4180/4885CYP11B2 1975/4885CYP11B1 1577/4885
US-20100227894-A1 BENZAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F7, F9, F8 SMYD3 2558/4885CYP11B2 2530/4885CYP11B1 2395/4885
US-20080194803-A1 Cognitive Performance With Sirtuin Activators SIRT1, SIRT2, SIRT7 SMYD3 1543/4885CYP11B2 3421/4885CYP11B1 3150/4885
US-20070149466-A1 Methods and related compositions for treating or preventing obesity, insulin resistance disorders, and mitochondrial-associated disorders SIRT1, SIRT3, SIRT2 SMYD3 2271/4885CYP11B2 231/4885CYP11B1 225/4885
US-10941152-B2 Pyrazole compounds as modulators of FSHR and uses thereof FSHR, GNRHR, LHCGR SMYD3 3603/4885CYP11B2 142/4885CYP11B1 118/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.