SCHEMBL16639095

SCHEMBL16639095

Nc1ncc(-c2nc(Cl)nc3c(Br)csc23)cn1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.37
PIK3CD O00329 8/20 0.36
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 1/20 0.33
EPHB4 P54760 1/20 0.32
LMNA P02545 1/20 0.31
GLA P06280 1/20 0.31
HPGD P15428 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
PRKCI P41743 1/20 0.30
CDC25A P30304 1/20 0.30
CDC25B P30305 1/20 0.30

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
SCHEMBL16639096 0.85 PIK3CD (0.41) PIK3CAPIK3CDKDM4EALDH1A1SMN1; SMN2
SCHEMBL17053407 0.84 PIK3CA (0.40) PIK3CAPIK3CDALOX5APFEN1PRKCI
SCHEMBL16639077 0.83 PRKCI (0.32) PIK3CAPIK3CDPRKCI
SCHEMBL16639073 0.82 PIK3CA (0.38) PIK3CAPIK3CDSMN1; SMN2EPHB4LMNA
SCHEMBL17946922 0.79 AURKA (0.45) PIK3CAPIK3CD
SCHEMBL16639074 0.79 PIK3CA (0.37) PIK3CAPIK3CDKDM4EALDH1A1SMN1; SMN2
SCHEMBL16639097 0.76 CYP2A6 (0.43) PIK3CAPIK3CD
SCHEMBL17053399 0.75 PIK3CA (0.52) PIK3CAPIK3CD
SCHEMBL17946631 0.75 PIK3CD (0.45) PIK3CAPIK3CDKDM4ELMNA
SCHEMBL16639118 0.75 TXN (0.36) KDM4EALDH1A1SMN1; SMN2EPHB4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2860181-B1 FUSED PYRIMIDINE COMPOUND, AND PREPARATION METHOD, INTERMEDIATE, COMPOSITION AND USES THEREOF SHANGHAI YINGLI PHARM CO LTD (CN) 2019-02-13 EP disclosed
US-9499561-B2 Fused pyrimidine compound, and preparation method, intermediate, composition, and uses thereof SHANGHAI YINGLI PHARMACEUTICAL CO., LTD. (CN) 2016-11-22 US disclosed
US-9499561-B2 Fused pyrimidine compound, and preparation method, intermediate, composition, and uses thereof SHANGHAI YINGLI PHARMACEUTICAL CO., LTD. (CN) 2016-11-22 US disclosed
US-20150246929-A1 FUSED PYRIMIDINE COMPOUND, AND PREPARATION METHOD, INTERMEDIATE, COMPOSITION, AND USES THEREOF SHANGHAI YUNYI HEALTHCARE AND TECHNOLOGY CO., LTD. (CN) 2015-09-03 US disclosed
US-20150246929-A1 FUSED PYRIMIDINE COMPOUND, AND PREPARATION METHOD, INTERMEDIATE, COMPOSITION, AND USES THEREOF SHANGHAI YUNYI HEALTHCARE AND TECHNOLOGY CO., LTD. (CN) 2015-09-03 US disclosed
EP-2860181-A1 FUSED PYRIMIDINE COMPOUND, AND PREPARATION METHOD, INTERMEDIATE, COMPOSITION AND USES THEREOF Shanghai Yingli Science and Technology Co., Ltd (CN) 2015-04-15 EP 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-20150246929-A1 FUSED PYRIMIDINE COMPOUND, AND PREPARATION METHOD, INTERMEDIATE, COMPOSITION, AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PIK3CA 1/4885PIK3CD 2/4885KDM4E 4124/4885

“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.