SCHEMBL12018677

SCHEMBL12018677

CCc1ccc2[nH]ncc(=O)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 1/20 0.47
RIPK1 Q13546 1/20 0.47
CDC7 O00311 1/20 0.44
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GABRA1 P14867 2/20 0.40
GABRB2 P47870 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TRPA1 O75762 1/20 0.39
MAPT P10636 1/20 0.39
IDO1 P14902 1/20 0.39
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
ELANE P08246 1/20 0.38
TYMS P04818 1/20 0.38

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
SCHEMBL14898069 0.77 ALDH1A1 (0.53) MAPK10ALDH1A1KDM4ENPC1RAB9A
SCHEMBL12125845 0.75 HCAR2 (0.47) MAPK10RIPK1CDC7ALDH1A1KDM4E
SCHEMBL764032 0.75 CDC7 (0.55) CDC7ALDH1A1KDM4ERAB9AMEN1
SCHEMBL12006527 0.74 KDM4E (0.56) ALDH1A1KDM4ERAB9AMEN1KMT2A
SCHEMBL6832995 0.74 NOS1 (0.56) ALDH1A1MAPTIDO1
SCHEMBL13034189 0.73 IDH1 (0.45) KDM4EGABRA1HTR1D
SCHEMBL27167438 0.73 ALDH1A1 (0.55) MAPK10RIPK1ALDH1A1KDM4ENPC1
SCHEMBL2056367 0.72 GABRA1 (0.48) ALDH1A1GABRA1GABRB2HTR1AHTR1D
SCHEMBL1680348 0.72 KDM4E (0.59) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL91332 0.72 MAPT (0.60) CDC7ALDH1A1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8710065-B2 Tricyclic inhibitors of kinases ABBVIE INC. (US) 2014-04-29 US disclosed
US-20120220572-A1 TRICYCLIC INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2012-08-30 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-20120220572-A1 TRICYCLIC INHIBITORS OF KINASES WEE1, WEE2, CDK1 MAPK10 274/4885RIPK1 562/4885CDC7 323/4885

“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.