SCHEMBL12724877

SCHEMBL12724877

Cc1cc2nc(NC(C)(C)C)n(C)c2cc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.50
▸ ALDH1A1 P00352 4/20 0.50
▸ GLA P06280 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ TRPV1 Q8NER1 2/20 0.38
▸ MAPT P10636 3/20 0.38
▸ POLB P06746 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ CYP3A4 P08684 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ GFER P55789 1/20 0.33

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
SCHEMBL12724891 0.79 KDM4E (0.56) KDM4EALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL14263360 0.75 KDM4E (0.43) KDM4EALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL24188675 0.74 KDM4E (0.53) KDM4EALDH1A1GLAHPGDSMN1; SMN2
SCHEMBL14519981 0.74 SMN1; SMN2 (0.53) KDM4EALDH1A1GLAHPGDSMN1; SMN2
SCHEMBL12135849 0.73 SMN1; SMN2 (0.58) KDM4EALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL862261 0.72 KDM4E (0.62) KDM4EALDH1A1GLAHPGDSMN1; SMN2
SCHEMBL29770405 0.69 KDM4E (0.56) KDM4EALDH1A1GLAHPGDSMN1; SMN2
SCHEMBL3967634 0.69 KDM4E (0.56) KDM4EALDH1A1GLAHPGDSMN1; SMN2
SCHEMBL27203364 0.69 KDM4E (0.56) KDM4EALDH1A1GLAHPGDSMN1; SMN2
SCHEMBL4981850 0.69 ALDH1A1 (0.51) KDM4EALDH1A1HPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932257-B2 Substituted pyrazolo[4,3-d]pyrimidines as aurora kinase inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2011-04-26 — — US disclosed
US-20100179123-A1 THIENOPYRIMIDINES USEFUL AS AURORA KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2010-07-15 — — US disclosed
US-7601725-B2 Thienopyrimidines useful as Aurora kinase inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2009-10-13 — — US disclosed
US-20070027166-A1 Pyrazolo pyrimidines useful as aurora kinase inhibitors SUNESIS PHARMACEUTICALS, INC. 2007-02-01 — — 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 (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-20100179123-A1 THIENOPYRIMIDINES USEFUL AS AURORA KINASE INHIBITORS AURKA, AURKB, AURKC KDM4E 728/4885ALDH1A1 3035/4885GLA 3367/4885
US-20070027166-A1 Pyrazolo pyrimidines useful as aurora kinase inhibitors AURKA, AURKB, AURKC KDM4E 951/4885ALDH1A1 3764/4885GLA 2777/4885

“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.

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