SCHEMBL537885

SCHEMBL537885

COc1ccc(CN2CCCc3n[nH]c4nc(NCCc5ccc(F)cc5)nc2c34)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 1/20 0.41
CNR2 P34972 8/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KCNH2 Q12809 1/20 0.38
POLB P06746 2/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TYRO3 Q06418 1/20 0.37
EHMT2 Q96KQ7 2/20 0.36
DNMT3A Q9Y6K1 2/20 0.36
ACP1 P24666 1/20 0.36
CCR3 P51677 1/20 0.35

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
SCHEMBL2809363 0.95 GRK6 (0.42) GRK6CNR2KDM4EALDH1A1KCNH2
SCHEMBL2810268 0.87 CLPP (0.42) KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL2813934 0.87 CLPP (0.42) KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL2812343 0.85 CLPP (0.45) KDM4EALDH1A1POLBMAPTHPGD
SCHEMBL2812821 0.85 SMN1; SMN2 (0.42) KDM4EALDH1A1POLBMAPTHPGD
SCHEMBL2813867 0.84 CLPP (0.40) GRK6MAPTTSHRCCR3
SCHEMBL2814373 0.83 PIK3CA (0.45) KDM4EALDH1A1POLBMAPTHPGD
SCHEMBL2809612 0.81 CXCR4 (0.41) KDM4EALDH1A1POLBMAPTHPGD
SCHEMBL538311 0.81 ALDH1A1 (0.42) KDM4EALDH1A1POLBHPGDTSHR
SCHEMBL14405862 0.81 TLR9 (0.41) ACP1

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
EP-2414359-A1 PERI-FUSED PYRAZOLO-PYRIMIDINE COMPOUNDS ArQule, Inc. (US) 2012-02-08 EP claimed
WO-2010114905-A1 PERI-FUSED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-10-07 WO claimed
US-8343983-B2 Substituted pyrazolo-pyrimidine compounds ARQULE, INC. (US) 2013-01-01 US disclosed
US-8343983-B2 Substituted pyrazolo-pyrimidine compounds ARQULE, INC. (US) 2013-01-01 US disclosed
US-8343983-B2 Substituted pyrazolo-pyrimidine compounds ARQULE, INC. (US) 2013-01-01 US disclosed
WO-2010114905-A1 PERI-FUSED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-10-07 WO disclosed
US-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-09-30 US disclosed
US-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-09-30 US disclosed
US-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-09-30 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-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS DPYD, TYMP, TP53 GRK6 2330/4885CNR2 1666/4885KDM4E 2749/4885

“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.