SCHEMBL17626717

SCHEMBL17626717

Nc1ncnc2[nH]nc(-c3ccc(Oc4ccccc4)c(Cl)c3)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 7/20 0.47
▸ PIK3CA P42336 7/20 0.47
▸ PIK3CB P42338 7/20 0.47
▸ PIK3CG P48736 7/20 0.47
▸ PRKDC P78527 7/20 0.47
▸ NUDT14 O95848 2/20 0.47
▸ NUDT5 Q9UKK9 2/20 0.47
▸ BTK Q06187 3/20 0.47
▸ TNK2 Q07912 1/20 0.46
▸ EGFR P00533 2/20 0.45
▸ ERBB2 P04626 2/20 0.41
▸ ERBB3 P21860 1/20 0.41
▸ ERBB4 Q15303 1/20 0.41
▸ LCK P06239 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ TEK Q02763 1/20 0.38
▸ SCN9A Q15858 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37

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
SCHEMBL22692856 0.86 ERBB2 (0.50) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL20093445 0.84 EGFR (0.50) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL19414295 0.83 SRC (0.47) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL200349 0.83 NUDT14 (0.62) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL30387716 0.82 PIK3CD (0.65) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
Hydrochloric Acid SCHEMBL29439185 0.82 NUDT14 (0.61) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL20093481 0.81 KMO (0.46) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL13293328 0.80 ERBB2 (0.56) BTKEGFRERBB2ERBB3ERBB4
SCHEMBL19385334 0.78 LCK (0.47) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL21386702 0.78 PIK3CD (0.50) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9694011-B2 Substituted pyrazolopyrimidines as kinases inhibitors JIANGSU MEDOLUTION LTD (CN) 2017-07-04 — — US disclosed
US-9694011-B2 Substituted pyrazolopyrimidines as kinases inhibitors JIANGSU MEDOLUTION LTD (CN) 2017-07-04 — — US disclosed
US-9694011-B2 Substituted pyrazolopyrimidines as kinases inhibitors JIANGSU MEDOLUTION LTD (CN) 2017-07-04 — — US disclosed
US-20160120868-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AS KINASES INHIBITORS JIANGSU MEDOLUTION LTD. (CN) 2016-05-05 — — US disclosed
US-20160120868-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AS KINASES INHIBITORS JIANGSU MEDOLUTION LTD. (CN) 2016-05-05 — — US disclosed
US-20160120868-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AS KINASES INHIBITORS JIANGSU MEDOLUTION LTD. (CN) 2016-05-05 — — US disclosed
EP-2999702-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AS KINASES INHIBITORS Jiangsu Medolution Ltd. (CN) 2016-03-30 — — 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-20160120868-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AS KINASES INHIBITORS BTK, LCK, ABL1 PIK3CD 224/4885PIK3CA 55/4885PIK3CB 239/4885

“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.

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