SCHEMBL4517828

SCHEMBL4517828

O=C(NCc1ccccn1)c1n[nH]c2ccccc12.O=C(NCc1cccnc1)c1n[nH]c2ccccc12

nearest known ligand 0.81

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.81
MAPK10 P53779 1/20 0.81
HSD17B10 Q99714 1/20 0.81
ALDH1A1 P00352 6/20 0.62
MAPK1 P28482 2/20 0.62
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 5/20 0.54
RAB9A P51151 4/20 0.54
NPC1 O15118 3/20 0.54
HTR1A P08908 1/20 0.49
DRD2 P14416 1/20 0.49
GAA P10253 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ITK Q08881 1/20 0.48
NAMPT P43490 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
MMP13 P45452 1/20 0.47

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
SCHEMBL954666 0.91 KDM4E (0.64) KDM4EMAPK10HSD17B10ALDH1A1HTT
SCHEMBL954391 0.90 KDM4E (1.00) KDM4EMAPK10HSD17B10ALDH1A1MAPK1
SCHEMBL22308388 0.83 KDM4E (0.58) KDM4EMAPK10HSD17B10ALDH1A1MAPK1
SCHEMBL24273162 0.81 RAB9A (0.77) KDM4EMAPK10HSD17B10ALDH1A1MAPK1
SCHEMBL952028 0.79 SMN1; SMN2 (0.77) KDM4EMAPK10HSD17B10ALDH1A1MAPK1
SCHEMBL7508910 0.78 KDM4E (0.77) KDM4EMAPK10HSD17B10ALDH1A1MAPK1
SCHEMBL22308392 0.78 KDM4E (0.76) KDM4EMAPK10HSD17B10ALDH1A1MAPK1
SCHEMBL952273 0.78 KDM4E (0.68) KDM4EMAPK10HSD17B10ALDH1A1MAPK1
SCHEMBL6219544 0.77 DYRK1A (0.72)
SCHEMBL22307956 0.77 KDM4E (0.64) KDM4EMAPK10HSD17B10ALDH1A1MAPK1

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 KDM4E 2725/4885MAPK10 714/4885HSD17B10 1880/4885

“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.