SCHEMBL496797

SCHEMBL496797

[c]1cn(-c2ccccc2)nn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.43
P2RX7 Q99572 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
MAOA P21397 1/20 0.37
GAA P10253 2/20 0.36
HPGD P15428 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HTT P42858 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
CCR6 P51684 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
ATM Q13315 1/20 0.33
HPGDS O60760 1/20 0.33
ALKBH2 Q6NS38 1/20 0.33
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL28447 0.80 MAOA (0.39) MAOAMAPT
SCHEMBL3679233 0.78 NOTUM (0.47) NOTUML3MBTL1HPGDKDM4EHTT
SCHEMBL15657033 0.78 NOTUM (0.47) NOTUML3MBTL1KDM4EHTTALDH1A1
SCHEMBL8513179 0.71 MGLL (0.37) ALDH1A1MAPTPTGS2
SCHEMBL2819853 0.71 RAB9A (0.43) GAAKDM4EHTTALDH1A1ALKBH2
SCHEMBL2818806 0.71 KCNMA1 (0.43) L3MBTL1GAAHPGDKDM4EHTT
SCHEMBL8513208 0.71 MGLL (0.37)
SCHEMBL430176 0.65 GAA (0.42) NOTUMP2RX7L3MBTL1MAOAGAA
SCHEMBL11354357 0.64 LTA4H (0.32) HTT
SCHEMBL17080299 0.64 NOTUM (0.39) NOTUMP2RX7L3MBTL1MAOAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116217457-A 4-amino-1H-pyrrole compound, preparation method and application 中国药科大学 2023-06-06 CN claimed
CN-116082253-A 1-N-substituted 1,2, 3-triazole-4-carboxamide derivative and preparation method thereof 浙大城市学院 2023-05-09 CN claimed
US-20210024489-A1 TREATMENT AND PREVENTION OF NEUROPATHIC PAIN WITH P2Y14 ANTAGONISTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2021-01-28 US claimed
CN-107531690-B 4,5,6, 7-tetrahydro-1H-pyrazolo [4,3-c ] pyridin-3-amine compounds as CBP and/or EP300 inhibitors 基因泰克公司 2020-11-06 CN claimed
EP-3626717-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS Eisai R&D Management Co., Ltd. (JP) 2020-03-25 EP claimed
EP-2581365-B1 Heterocyclic compound, organic light-emitting diode comprising the heterocyclic compound, and flat panel display device comprising the organic light-emitting diode SAMSUNG DISPLAY CO LTD (KR) 2019-10-16 EP claimed
US-RE47193-E1 Selectively substituted quinoline compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2019-01-08 US claimed
US-20180305391-A1 COFACTOR ANALOGS AS METHYLTRANSFERASE INHIBITORS FOR TREATING CANCER MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2018-10-25 US claimed
US-20180291263-A1 SPIROFLUORENE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT DEVICES WUHAN CHINA STAR OPTOELECTRONICS TECHNOLOGY CO., LTD. (CN) 2018-10-11 US claimed
US-20180294417-A1 FLUORENE-CARBAZOLE DERIVATIVES AND PHOSPHORESCENT ORGANIC ELECTROLUMINESCENT DEVICES WUHAN CHINA STAR OPTOELECTRONICS TECHNOLOGY CO., LTD. (CN) 2018-10-11 US claimed
WO-2006013195-A1 5-SUBSTITUTED 1H-PYRROLO[3,2-B]PYRIDINES ALTANA PHARMA AG (DE) 2006-02-09 WO claimed
US-20050261449-A1 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENT INC. 2005-11-24 US claimed
WO-2005105864-A1 HETEROCYCLIC SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2005-11-10 WO claimed
EP-1453789-A2 N,N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES Elan Pharmaceuticals, Inc. (US) 2004-09-08 EP claimed
US-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives PHARMACIA & UPJOHN COMPANY 2004-09-02 US claimed
WO-2003040096-A2 N, N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES ELAN PHARMACEUTICALS, INC. (US) 2003-05-15 WO claimed
US-5269815-A Process for the fluorescent whitening of hydrophobic textile material with disperse fluorescent whitening agents from super-critical carbon dioxide CIBA-GEIGY CORPORATION (US) 1993-12-14 US claimed
EP-0543779-A1 Process for optical bleaching of hydrophobic textile material with disperse optical brightness in supercritical CO2 CIBA-GEIGY AG (CH) 1993-05-26 EP claimed
US-5185027-A Salicylaldehyde derivatives and salicyclic acid derivatives and their sulfur analogs, and their use as herbicides and bioregulators BASF AKTIENGESELLSCHAFT (DE) 1993-02-09 US claimed
US-5085686-A Plant growth regulator BASF AKTIENGESELLSCHAFT (DE) 1992-02-04 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 (5 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-20180305391-A1 COFACTOR ANALOGS AS METHYLTRANSFERASE INHIBITORS FOR TREATING CANCER NNMT, BHMT, MAT2B NOTUM 1355/4885P2RX7 4669/4885L3MBTL1 178/4885
US-20180294417-A1 FLUORENE-CARBAZOLE DERIVATIVES AND PHOSPHORESCENT ORGANIC ELECTROLUMINESCENT DEVICES FOXO3, TEC, GDI2 NOTUM 3978/4885P2RX7 713/4885L3MBTL1 2979/4885
US-20180291263-A1 SPIROFLUORENE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT DEVICES SLCO4C1, GFPT1, TRPA1 NOTUM 4679/4885P2RX7 1289/4885L3MBTL1 4233/4885
US-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives BACE1, BACE2, PSEN1 NOTUM 1213/4885P2RX7 2420/4885L3MBTL1 2946/4885
US-20210024489-A1 TREATMENT AND PREVENTION OF NEUROPATHIC PAIN WITH P2Y14 ANTAGONISTS P2RY14, P2RY4, P2RY13 NOTUM 3292/4885P2RX7 17/4885L3MBTL1 4472/4885

“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.