SCHEMBL2176413

SCHEMBL2176413

Cc1ccnc(NC(=O)c2ccccc2)c1

nearest known ligand 0.89

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.89
RAB9A P51151 7/20 0.89
ATM Q13315 1/20 0.80
ALDH1A1 P00352 2/20 0.75
SMN1; SMN2 Q16637 3/20 0.66
PKM P14618 2/20 0.66
KMT2A Q03164 4/20 0.65
MEN1 O00255 2/20 0.65
MAPT P10636 1/20 0.65
LMNA P02545 1/20 0.63
CYP1A2 P05177 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
HSD17B10 Q99714 1/20 0.62
POLB P06746 1/20 0.62
SORT1 Q99523 1/20 0.59

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
SCHEMBL17065565 1.00 NPC1 (0.89) NPC1RAB9AATMALDH1A1SMN1; SMN2
SCHEMBL8460601 0.94 NPC1 (0.80) NPC1RAB9AATMALDH1A1SMN1; SMN2
SCHEMBL7177042 0.94 NPC1 (0.80) NPC1RAB9AATMALDH1A1SMN1; SMN2
SCHEMBL8555112 0.89 NPC1 (0.72) NPC1RAB9AATMALDH1A1SMN1; SMN2
SCHEMBL16604283 0.89 NPC1 (0.76) NPC1RAB9AATMALDH1A1SMN1; SMN2
SCHEMBL8341109 0.88 RAB9A (0.72) NPC1RAB9AATMALDH1A1SMN1; SMN2
SCHEMBL14082224 0.86 NPC1 (0.72) NPC1RAB9AATMALDH1A1SMN1; SMN2
SCHEMBL17675306 0.86 NPC1 (0.72) NPC1RAB9AATMALDH1A1SMN1; SMN2
SCHEMBL2862565 0.86 NPC1 (0.68) NPC1RAB9AATMALDH1A1SMN1; SMN2
SCHEMBL23015752 0.85 RAB9A (0.67) NPC1RAB9AATMALDH1A1SMN1; SMN2

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240099300-A1 SULFONAMIDE APYRASE INHIBITORS TEXAS CROP SCIENCE, INC. 2024-03-28 US claimed
WO-2016004272-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2016-01-07 WO claimed
WO-2015057992-A1 BTK INHIBITORS FOR HEMATOPOIETIC MOBILIZATION IZUMI RAQUEL (US) 2015-04-23 WO claimed
EP-2734522-A1 4 - IMIDAZOPYRIDAZIN- 1 -YL-BENZAMIDES AND 4 - IMIDAZOTRIAZIN- 1 - YL - BENZAMIDES AS BTK- INHIBITORS Merck Sharp & Dohme B.V. (NL) 2014-05-28 EP claimed
WO-2013010868-A1 4 - IMIDAZOPYRIDAZIN- 1 -YL-BENZAMIDES AND 4 - IMIDAZOTRIAZIN- 1 - YL - BENZAMIDES AS BTK- INHIBITORS MSD OSS B.V. (NL) 2013-01-24 WO claimed
US-20240024314-A1 Methods of Treating Splenomegaly TELIOS PHARMA, INC. (US) 2024-01-25 US disclosed
US-20230271953-A1 Novel compounds for treatment of diseases related to DUX4 expression Facio Intellectual Property B.V. (NL) 2023-08-31 US disclosed
US-11642343-B2 Methods of treating splenomegaly TELIOS PHARMA, INC. (US) 2023-05-09 US disclosed
US-20220387434-A1 COMBINATION OF A BTK INHIBITOR AND AN MDM2 INHIBITOR FOR CANCER TREATMENT QUOGUE IP HOLDINGS LLC (US) 2022-12-08 US disclosed
US-20220184069-A1 METHODS OF TREATING SPLENOMEGALY TELIOS PHARMA, INC. (US) 2022-06-16 US disclosed
CN-113735850-A Synthesis method of 1,2, 4-triazole compound 河南师范大学 2021-12-03 CN disclosed
WO-2021105474-A1 NEW COMPOUNDS FOR TREATMENT OF DISEASES RELATED TO DUX4 EXPRESSION Facio Intellectual Property B.V. (NL) 2021-06-03 WO disclosed
WO-2021105481-A1 NOVEL COMPOUNDS FOR TREATMENT OF DISEASES RELATED TO DUX4 EXPRESSION Facio Intellectual Property B.V. (NL) 2021-06-03 WO disclosed
WO-2016004272-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2016-01-07 WO disclosed
WO-2015057992-A1 BTK INHIBITORS FOR HEMATOPOIETIC MOBILIZATION IZUMI RAQUEL (US) 2015-04-23 WO disclosed
US-20110172203-A1 Substituted Imidazopyridinyl-Aminopyridine Compounds ARQULE, INC. (US) 2011-07-14 US disclosed
WO-2011082270-A2 SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS ARQULE. INC. (US) 2011-07-07 WO 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 (4 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-20230271953-A1 Novel compounds for treatment of diseases related to DUX4 expression UTRN, ZFX, CBX6 NPC1 3212/4885RAB9A 1291/4885ATM 4021/4885
US-20220387434-A1 COMBINATION OF A BTK INHIBITOR AND AN MDM2 INHIBITOR FOR CANCER TREATMENT BTK, BCL9L, BCL9 NPC1 3690/4885RAB9A 2681/4885ATM 86/4885
US-20240099300-A1 SULFONAMIDE APYRASE INHIBITORS APEH, ARSA, DNPEP NPC1 3337/4885RAB9A 1777/4885ATM 2224/4885
US-20110172203-A1 Substituted Imidazopyridinyl-Aminopyridine Compounds MKI67, CDK4, ABL1 NPC1 1758/4885RAB9A 2076/4885ATM 1305/4885

“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.