SCHEMBL4584445

SCHEMBL4584445

NC(=O)c1cccnc1NC1CC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
HTT P42858 1/20 0.55
ALDH1A1 P00352 3/20 0.54
HPGD P15428 2/20 0.54
KDM4E B2RXH2 1/20 0.54
HSD17B10 Q99714 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.52
RAB9A P51151 3/20 0.52
NPC1 O15118 2/20 0.52
AHR P35869 1/20 0.52
RPS6KB1 P23443 4/20 0.52
AURKA O14965 3/20 0.52
SYK P43405 7/20 0.51
LMNA P02545 1/20 0.49
PARP1 P09874 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KCNH2 Q12809 1/20 0.45

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
Hydrochloric Acid SCHEMBL22609596 0.98 MAPT (0.54) MAPTHTTALDH1A1HPGDKDM4E
SCHEMBL28282980 0.94 MAPK8 (0.52) MAPTHTTALDH1A1HPGDKDM4E
SCHEMBL2718370 0.94 SYK (0.53) MAPTHTTALDH1A1HPGDKDM4E
SCHEMBL3718998 0.94 MAPT (0.52) MAPTHTTALDH1A1HPGDKDM4E
SCHEMBL3638560 0.90 MAPK1 (0.50) MAPTHTTALDH1A1HPGDKDM4E
SCHEMBL21774769 0.88 SYK (0.48) MAPTHTTALDH1A1HPGDKDM4E
SCHEMBL21774760 0.88 MAPT (0.45) MAPTHTTALDH1A1HPGDKDM4E
SCHEMBL21774801 0.87 SYK (0.46) MAPTHTTALDH1A1HPGDKDM4E
SCHEMBL28284467 0.86 BTK (0.49) MAPTHTTALDH1A1HPGDKDM4E
SCHEMBL21774807 0.86 SYK (0.50) MAPTHTTALDH1A1HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250270190-A1 KIT INHIBITORS BLUEPRINT MEDICINES CORPORATION 2025-08-28 US disclosed
CN-110218211-A A kind of simple and convenient process for preparing of nevirapine 新发药业有限公司 2019-09-10 CN disclosed
CN-106061967-B The nicotinamide compounds replaced through heteroaryl 百时美施贵宝公司 2019-04-19 CN disclosed
US-9951020-B2 Methods of making 2-halonicotinonitriles VIRGINIA COMMONWEALTH UNIVERSITY (US) 2018-04-24 US disclosed
US-9951020-B2 Methods of making 2-halonicotinonitriles VIRGINIA COMMONWEALTH UNIVERSITY (US) 2018-04-24 US disclosed
US-20160221951-A1 METHODS OF MAKING 2-HALONICOTINONITRILES VIRGINIA COMMONWEALTH UNIVERSITY 2016-08-04 US disclosed
US-20160221951-A1 METHODS OF MAKING 2-HALONICOTINONITRILES VIRGINIA COMMONWEALTH UNIVERSITY 2016-08-04 US disclosed
WO-2015031718-A1 METHODS OF MAKING 2-HALONICOTINONITRILES MCQUADE D TYLER (US) 2015-03-05 WO disclosed
WO-2008103899-A1 PREPARATION AND UTILITY OF NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS AUSPEX PHARMACEUTICALS, INC. (US) 2008-08-28 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 (2 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-20250270190-A1 KIT INHIBITORS KIT, ABL1, APC MAPT 4237/4885HTT 2531/4885ALDH1A1 1119/4885
US-20160221951-A1 METHODS OF MAKING 2-HALONICOTINONITRILES NISCH, HCN2, HCN1 MAPT 2653/4885HTT 244/4885ALDH1A1 647/4885

“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.