SCHEMBL16639073

SCHEMBL16639073

Cc1nc(N)ncc1-c1nc(Cl)nc2c(Br)csc12

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.38
PIK3CD O00329 3/20 0.38
RXFP1 Q9HBX9 1/20 0.36
PIK3R1 P27986 1/20 0.33
MTOR P42345 1/20 0.33
ACHE P22303 1/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
EPHB4 P54760 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
SCHEMBL20725708 0.87 PIK3CA (0.37) PIK3CAPIK3CDRXFP1PIK3R1MTOR
SCHEMBL17053401 0.86 PIK3CA (0.39) PIK3CAPIK3CDRXFP1PIK3R1MTOR
SCHEMBL16639095 0.82 PIK3CA (0.37) PIK3CAPIK3CDLMNASMN1; SMN2EPHB4
SCHEMBL17053424 0.82 NOS3 (0.36) PIK3CAPIK3R1MTOREPHB4
SCHEMBL17053410 0.77 PIK3CA (0.52) PIK3CAPIK3CDPIK3R1MTORSMN1; SMN2
SCHEMBL16639154 0.75 PIK3CA (0.36) PIK3CAPIK3CDPIK3R1MTOREPHB4
SCHEMBL16639078 0.75 PIK3CA (0.65) PIK3CAPIK3CDPIK3R1MTOR
SCHEMBL16639096 0.73 PIK3CD (0.41) PIK3CAPIK3CDPIK3R1MTORLMNA
SCHEMBL17946922 0.71 AURKA (0.45) PIK3CAPIK3CD
SCHEMBL1682836 0.71 HTT (0.36) EPHB4

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 2/4885RXFP1 4384/4885

“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.