SCHEMBL16639096

SCHEMBL16639096

Nc1ccc(-c2nc(Cl)nc3c(Br)csc23)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.41
PIK3CA P42336 4/20 0.36
LTA4H P09960 1/20 0.35
DYRK1A Q13627 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
EPHB4 P54760 1/20 0.34
MAP4K4 O95819 2/20 0.34
CYP1A2 P05177 1/20 0.34
KCNH2 Q12809 1/20 0.34
MINK1 Q8N4C8 1/20 0.34
TNIK Q9UKE5 1/20 0.34
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
AOC3 Q16853 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL20725698 0.88 PIK3CD (0.40) PIK3CDPIK3CALTA4HDYRK1ADYRK1B
SCHEMBL17053396 0.85 PIK3CA (0.39) PIK3CDPIK3CADYRK1ADYRK1BMAP4K4
SCHEMBL16639095 0.85 PIK3CA (0.37) PIK3CDPIK3CAEPHB4KDM4EALDH1A1
SCHEMBL16639097 0.81 CYP2A6 (0.43) PIK3CDPIK3CAMTORMKNK1MKNK2
SCHEMBL16639118 0.77 TXN (0.36) EPHB4MAP4K4MINK1RAB9AKDM4E
SCHEMBL17053398 0.77 PIK3CA (0.50) PIK3CDPIK3CARAB9AMTORPIK3R1
SCHEMBL16639077 0.77 PRKCI (0.32) PIK3CDPIK3CAPIK3R1PRKCI
SCHEMBL17053424 0.76 NOS3 (0.36) PIK3CAEPHB4AOC3MTORPIK3R1
SCHEMBL17946922 0.76 AURKA (0.45) PIK3CDPIK3CA
SCHEMBL16639139 0.75 PIK3CA (0.62) PIK3CDPIK3CAMTORPIK3R1

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 PIK3CD 2/4885PIK3CA 1/4885LTA4H 2811/4885

“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.