SCHEMBL4560912

SCHEMBL4560912

Cc1cccnc1NC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.53
NPC1 O15118 5/20 0.53
KDM4E B2RXH2 2/20 0.53
L3MBTL1 Q9Y468 3/20 0.50
MAPT P10636 2/20 0.50
FDPS P14324 4/20 0.46
HTT P42858 1/20 0.45
ATM Q13315 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
KMT2A Q03164 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
MEN1 O00255 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
SCHEMBL31039477 1.00 RAB9A (0.53) RAB9ANPC1KDM4EL3MBTL1MAPT
SCHEMBL21579239 0.81 RAB9A (0.47) RAB9ANPC1KDM4EL3MBTL1MAPT
SCHEMBL19867133 0.78 TLR8 (0.47) RAB9ANPC1KDM4EL3MBTL1MAPT
SCHEMBL18995633 0.78 NPC1 (0.45) RAB9ANPC1KDM4EL3MBTL1MAPT
SCHEMBL15368480 0.78 NPC1 (0.61) RAB9ANPC1KDM4EL3MBTL1MAPT
SCHEMBL28324936 0.78 RAB9A (0.40) RAB9ANPC1KDM4EL3MBTL1MAPT
SCHEMBL16828900 0.78 RAB9A (0.43) RAB9ANPC1KDM4EL3MBTL1MAPT
SCHEMBL292777 0.76
SCHEMBL30671581 0.76
SCHEMBL14184980 0.75 GAA (0.46) RAB9AKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4737458-A2 PROCESS FOR MAKING CGRP RECEPTOR ANTAGONISTS Merck Sharp & Dohme LLC (US) 2026-05-06 EP disclosed
CN-110891951-B Compounds of formula (I) 谢菲尔德大学 2024-08-20 CN disclosed
EP-3628045-B1 COMPOUNDS UNIV SHEFFIELD (GB) 2024-07-03 EP disclosed
US-20230321050-A1 Heterocyclic Compounds and Uses Thereof MILLENNIUM PHARMACEUTICALS, INC. 2023-10-12 US disclosed
US-20230321050-A1 Heterocyclic Compounds and Uses Thereof MILLENNIUM PHARMACEUTICALS, INC. 2023-10-12 US disclosed
US-20230036854-A1 HETEROCYCLIC SPIRO-COMPOUNDS AS AM2 RECEPTOR INHIBITORS THE UNIVERSITY OF SHEFFIELD (GB) 2023-02-02 US disclosed
US-11547697-B2 Heterocyclic compounds and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2023-01-10 US disclosed
US-11400081-B2 Compounds THE UNIVERSITY OF SHEFFIELD (GB) 2022-08-02 US disclosed
CN-114007695-A As AM2Heterocyclic spiro-compounds as receptor inhibitors 谢菲尔德大学 2022-02-01 CN disclosed
US-20220023281-A1 HETEROCYCLIC SPIRO-COMPOUNDS AS AM2 RECEPTOR INHIBITORS THE UNIVERSITY OF SHEFFIELD (GB) 2022-01-27 US disclosed
WO-2012064911-A1 PIPERIDINONE CARBOXAMIDE INDANE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-05-18 WO disclosed
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2012-05-17 US disclosed
US-20110039838-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-02-17 US disclosed
WO-2011005731-A2 PROCESS FOR MAKING CGRP RECEPTOR ANTAGONIST MERCK SHARP & DOHME CORP. (US) 2011-01-13 WO disclosed
US-7846931-B2 Pyrrolotriazine compounds as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-12-07 US disclosed
US-20090048244-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-02-19 US disclosed
US-20080125399-A1 17 Beta-Acetamide-4-Azasteroids As Androgen Receptor Modulators MERCK SHARP & DOHME CORP. 2008-05-29 US disclosed
US-7297695-B2 Pyrrolotriazine compounds as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-20 US disclosed
CN-1047774-C Prepn of azadiphenyl cycloheptyl ketenes HUALIAN PHARMACEUTICAL CO SHAN (CN) 1999-12-29 CN disclosed
CN-1151987-A Prepn of azadiphenyl cycloheptyl ketenes SHANGHAI HUALIAN PHARMACEUTICA (CN) 1997-06-18 CN 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 (9 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-20230321050-A1 Heterocyclic Compounds and Uses Thereof PIK3CA, PIK3CD, PIK3CB RAB9A 758/4885NPC1 1284/4885KDM4E 4173/4885
US-20110039838-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS ERBB2, ERBB4, ERBB3 RAB9A 4200/4885NPC1 3053/4885KDM4E 2206/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB RAB9A 741/4885NPC1 1044/4885KDM4E 3893/4885
US-11547697-B2 Heterocyclic compounds and uses thereof PIK3CA, PIK3CD, PIK3CB RAB9A 758/4885NPC1 1284/4885KDM4E 4173/4885
US-20230036854-A1 HETEROCYCLIC SPIRO-COMPOUNDS AS AM2 RECEPTOR INHIBITORS MC2R, AGTR2, NR3C2 RAB9A 1581/4885NPC1 1499/4885KDM4E 4724/4885
US-20080125399-A1 17 Beta-Acetamide-4-Azasteroids As Androgen Receptor Modulators AR, CYP17A1, SHBG RAB9A 4368/4885NPC1 3145/4885KDM4E 1067/4885
US-20090048244-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS ERBB2, ERBB4, ERBB3 RAB9A 4200/4885NPC1 3053/4885KDM4E 2206/4885
US-11400081-B2 Compounds MRGPRX2, MC2R, ADM2 RAB9A 1428/4885NPC1 805/4885KDM4E 4843/4885
US-20220023281-A1 HETEROCYCLIC SPIRO-COMPOUNDS AS AM2 RECEPTOR INHIBITORS MC2R, AGTR2, AGTR1 RAB9A 2987/4885NPC1 1561/4885KDM4E 4846/4885

“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.