SCHEMBL1097748

SCHEMBL1097748

O=C1Cc2cc[c]cc2N1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 5/20 0.53
▸ PDK2 Q15119 1/20 0.53
▸ CMA1 P23946 2/20 0.47
▸ EIF2AK2 P19525 1/20 0.46
▸ PDE3B Q13370 1/20 0.39
▸ PDE3A Q14432 1/20 0.39
▸ TDP2 O95551 3/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ CASP9 P55211 1/20 0.37
▸ CASP6 P55212 1/20 0.37
▸ CASP8 Q14790 1/20 0.37
▸ MAP3K14 Q99558 1/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ CRBN Q96SW2 2/20 0.36
▸ PGR P06401 2/20 0.36
▸ GRIA1 P42261 2/20 0.36
▸ CACNG8 Q8WXS5 2/20 0.36
▸ NPC1 O15118 1/20 0.34
▸ MAPK13 O15264 1/20 0.34

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
SCHEMBL443143 0.84 AHR (0.53) AHRPDK2CMA1EIF2AK2PDE3B
SCHEMBL910409 0.82 NPC1 (0.55) PDE3BPDE3ACRBNNPC1MAPK13
SCHEMBL1450276 0.79 MAPT (0.58) AHRPDK2CRBNNPC1MAPK13
SCHEMBL27459742 0.77 TDP2 (0.56) TDP2CASP3CASP7CASP9CASP6
SCHEMBL3352684 0.73 PDE3B (0.42) PDE3BPDE3ACRBNCYP11B1CYP11B2
Oxindole SCHEMBL8866524 0.72 AHR (0.95) AHRPDK2CMA1EIF2AK2PDE3B
Oxindole SCHEMBL15636313 0.72 AHR (0.95) AHRPDK2CMA1EIF2AK2PDE3B
SCHEMBL16907887 0.72 AHR (0.48) AHRPDK2CMA1EIF2AK2PDE3B
SCHEMBL3353117 0.72 CYP11B1 (0.38) PDE3BPDE3ACYP11B1CYP11B2
SCHEMBL986343 0.71 NPC1 (0.55) AHRPDK2PDE3BPDE3ACRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230148214-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. 2023-05-11 — — US claimed
CN-107072205-B SMYD inhibitors EPIZYME股份有限公司 2022-07-15 — — CN claimed
US-20210198252-A1 SMYD INHIBITORS EPIZYME INC (US) 2021-07-01 — — US claimed
EP-3639823-A1 SUBSTITUTED 2-(4-HETEROCYCLYLBENZYL)ISOINDOLIN-1-ONE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 Vanderbilt University Center for Technology Transfer and Commercialization (US) 2020-04-22 — — EP claimed
US-20200048195-A1 SUBSTITUTED PYRROLIDINE CARBOXAMIDE COMPOUNDS Epizyme, Inc. 2020-02-13 — — US claimed
US-20190322660-A1 SMYD INHIBITORS Epizyme, Inc. 2019-10-24 — — US claimed
EP-2373318-B1 IMIDAZOPYRAZINE SYK INHIBITORS GILEAD CONNECTICUT INC (US) 2019-06-05 — — EP claimed
US-10092583-B2 Imidazopyridines Syk inhibitors GILEAD CONNECTICUT, INC. (US) 2018-10-09 — — US claimed
EP-2912037-B1 2-AMINOPYRIDINE COMPOUNDS MERCK PATENT GMBH (DE) 2018-08-22 — — EP claimed
EP-2970258-B1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A ABBVIE DEUTSCHLAND (DE) 2018-04-18 — — EP claimed
WO-2004089903-A9 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER LAMBERT CO (US) 2005-10-27 — — WO claimed
EP-1537084-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF Amgen Inc. (US) 2005-06-08 — — EP claimed
US-20050070534-A1 Non-peptidic NPY Y2 receptor inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2005-03-31 — — US claimed
US-20040214832-A1 Piperazine derivative renin inhibitors WARNER-LAMBERT COMPANY LLC 2004-10-28 — — US claimed
WO-2004089903-A1 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER-LAMBERT COMPANY LLC (US) 2004-10-21 — — WO claimed
WO-2004089915-A1 PIPERAZINE DERIVATIVE RENIN INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-10-21 — — WO claimed
US-20040204455-A1 Piperidine derivative rennin inhibitors WARNER-LAMBERT COMPANY LLC 2004-10-14 — — US claimed
WO-2004007458-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF AMGEN INC. (US) 2004-01-22 — — WO claimed
US-20030225106-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-12-04 — — US claimed
US-20030171359-A1 Suitable for treatment of illnesses characterised by excessive or abnormal cell proliferation; viral, bacterial, fungal and/or parasitic infections, skin diseases, bone diseases, cardiovascular diseases BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-09-11 — — US claimed

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

For each of this compound's patents that has machine-readable text (10 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-10092583-B2 Imidazopyridines Syk inhibitors SYK, BTK, ZAP70 AHR 2731/4885PDK2 2087/4885CMA1 431/4885
US-20230148214-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS LRRK2, PARK7, GDI2 AHR 1804/4885PDK2 463/4885CMA1 3848/4885
US-20030225106-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC AHR 69/4885PDK2 2434/4885CMA1 466/4885
US-20040204455-A1 Piperidine derivative rennin inhibitors REN, ACE, HPN AHR 4200/4885PDK2 989/4885CMA1 636/4885
US-20040214832-A1 Piperazine derivative renin inhibitors REN, ACE, AGTR2 AHR 3067/4885PDK2 463/4885CMA1 275/4885
US-20210198252-A1 SMYD INHIBITORS SMYD3, SMYD2, SMURF2 AHR 2472/4885PDK2 1991/4885CMA1 2659/4885
US-20190322660-A1 SMYD INHIBITORS SMYD2, SMYD3, SMURF2 AHR 1942/4885PDK2 2163/4885CMA1 2308/4885
US-20200048195-A1 SUBSTITUTED PYRROLIDINE CARBOXAMIDE COMPOUNDS SMYD3, SMYD2, SMURF2 AHR 3247/4885PDK2 826/4885CMA1 3389/4885
US-20030171359-A1 Suitable for treatment of illnesses characterised by excessive or abnormal cell proliferation; viral, bacterial, fungal and/or parasitic infections, skin diseases, bone diseases, cardiovascular diseases COL1A1, MKI67, INSR AHR 410/4885PDK2 2732/4885CMA1 856/4885
US-20050070534-A1 Non-peptidic NPY Y2 receptor inhibitors NPY2R, NPY1R, NPY5R AHR 3065/4885PDK2 2001/4885CMA1 1864/4885

“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.

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