SCHEMBL16639152

SCHEMBL16639152

Nc1ncc(-c2nc(Cl)nc3ccoc23)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.56
PIK3CA P42336 3/20 0.56
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
POLB P06746 1/20 0.35
HSP90AA1 P07900 1/20 0.33
MAP4K4 O95819 2/20 0.33
DYRK1A Q13627 1/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
AOC3 Q16853 1/20 0.32
PIK3R1 P27986 1/20 0.31
PIK3CB P42338 1/20 0.31
AKT1 P31749 1/20 0.30
MTOR P42345 1/20 0.30
ADORA2A P29274 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
SCHEMBL17464086 0.79 KDM4E (0.52) PIK3CDPIK3CAKDM4EALDH1A1SMN1; SMN2
SCHEMBL17464087 0.76 KDM4E (0.50) PIK3CAKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL1709918 0.74 HTT (0.41) PIK3CDPIK3CAKDM4EALDH1A1SMN1; SMN2
SCHEMBL29569254 0.74 HTT (0.41) PIK3CDPIK3CAKDM4EALDH1A1SMN1; SMN2
SCHEMBL25064168 0.74 KDM4E (0.41) PIK3CDPIK3CAKDM4EALDH1A1SMN1; SMN2
SCHEMBL30364154 0.74 KDM4E (0.41) PIK3CDPIK3CAKDM4EALDH1A1SMN1; SMN2
SCHEMBL17053394 0.74 PIK3CA (0.80) PIK3CDPIK3CAKDM4EALDH1A1LMNA
SCHEMBL17464089 0.73 KDM4E (0.42) PIK3CAKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL16639131 0.73 PIK3CA (1.00) PIK3CDPIK3CAPIK3R1PIK3CBMTOR
SCHEMBL17946335 0.71 PIK3CD (0.68) PIK3CDPIK3CAPIK3CB

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 1/4885KDM4E 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.