SCHEMBL4525874

SCHEMBL4525874

Cc1ccc(CNC(=O)c2n[nH]c3ccccc23)cc1.O=C(NCc1ccccc1Cl)c1n[nH]c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
GAA P10253 3/20 0.61
KDM4E B2RXH2 3/20 0.61
NPC1 O15118 3/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
RAB9A P51151 3/20 0.56
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
FLT3 P36888 1/20 0.56
SMN1; SMN2 Q16637 5/20 0.53
EPHB3 P54753 1/20 0.53
MAPK10 P53779 1/20 0.53
HSD17B10 Q99714 1/20 0.53
YTHDC1 Q96MU7 1/20 0.50
IDO1 P14902 1/20 0.50
MAPK3 P27361 1/20 0.50
MAPK1 P28482 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50

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
SCHEMBL950894 0.91 NPC1 (0.68) ALDH1A1GAAKDM4ENPC1L3MBTL1
SCHEMBL951202 0.90 FLT3 (0.67) ALDH1A1GAAKDM4ENPC1L3MBTL1
SCHEMBL8373049 0.80 SMN1; SMN2 (0.63) ALDH1A1GAAKDM4ENPC1L3MBTL1
SCHEMBL952028 0.80 SMN1; SMN2 (0.77) ALDH1A1GAAKDM4ENPC1L3MBTL1
SCHEMBL7846799 0.77 SMN1; SMN2 (0.60) ALDH1A1GAAKDM4ENPC1L3MBTL1
SCHEMBL952273 0.76 KDM4E (0.68) ALDH1A1GAAKDM4ENPC1L3MBTL1
SCHEMBL7483755 0.75 MEN1 (0.67) ALDH1A1GAAKDM4ENPC1L3MBTL1
SCHEMBL13947384 0.73 SMN1; SMN2 (0.73) ALDH1A1KDM4ENPC1L3MBTL1RAB9A
SCHEMBL5945685 0.72 RAB9A (0.60) ALDH1A1GAAKDM4ENPC1L3MBTL1
SCHEMBL29114967 0.72 SMN1; SMN2 (0.50) ALDH1A1NPC1RAB9AKMT2ASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060004000-A1 Indazolecarboxamide derivatives, preparation and use thereof as CDK1, CDK2 and CDK4 inhibitors SANOFI-AVENTIS (FR) 2006-01-05 US claimed
US-7482342-B2 Indazolecarboxamide derivatives, preparation and use thereof as CDK1, CDK2 and CDK4 inhibitors SANOFI-AVENTIS (FR) 2009-01-27 US disclosed
US-20060004000-A1 Indazolecarboxamide derivatives, preparation and use thereof as CDK1, CDK2 and CDK4 inhibitors SANOFI-AVENTIS (FR) 2006-01-05 US 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 (1 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-20060004000-A1 Indazolecarboxamide derivatives, preparation and use thereof as CDK1, CDK2 and CDK4 inhibitors CDK2, CDK1, CDK4 ALDH1A1 3252/4885GAA 4694/4885KDM4E 2725/4885

“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.