SCHEMBL14720127

SCHEMBL14720127

Cc1n[nH]c(N)c1Cc1cccc(Cl)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.43
CCR2 P41597 1/20 0.42
CCR5 P51681 1/20 0.42
P2RX7 Q99572 6/20 0.41
TAAR1 Q96RJ0 1/20 0.40
IDO1 P14902 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
AKR1B1 P15121 1/20 0.37
NR3C1 P04150 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GAA P10253 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL13516129 0.88 SMN1; SMN2 (0.50) PNMTP2RX7TAAR1SMN1; SMN2CYP3A4
SCHEMBL14720422 0.85 PNMT (0.46) PNMTCCR2CCR5TAAR1IDO1
SCHEMBL14720145 0.83 PNMT (0.41) PNMTCCR2CCR5TAAR1IDO1
SCHEMBL14720275 0.79 PNMT (0.40) PNMTCCR2CCR5P2RX7TAAR1
SCHEMBL14720282 0.78 ALDH1A1 (0.47) CCR2P2RX7TAAR1SMN1; SMN2HSD17B10
SCHEMBL6218818 0.76 ALDH1A1 (0.44) P2RX7TAAR1AKR1B1HSD17B10GAA
SCHEMBL13516703 0.73 CCR2 (0.50) PNMTCCR2CCR5P2RX7SMN1; SMN2
SCHEMBL14720231 0.73 PNMT (0.43) PNMTCCR2CCR5TAAR1IDO1
SCHEMBL14720550 0.73 PIK3CD (0.43) PNMTCCR2CCR5TAAR1IDO1
SCHEMBL14720207 0.73 PIK3CB (0.44) P2RX7PIK3CDPIK3CAPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096605-B2 Pyrazolopyrimidine derivatives as PI3 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2015-08-04 US disclosed
US-9096605-B2 Pyrazolopyrimidine derivatives as PI3 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2015-08-04 US disclosed
US-9096605-B2 Pyrazolopyrimidine derivatives as PI3 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2015-08-04 US disclosed
US-20140187545-A1 Pyrazolopyrimidine Derivatives As PI3 Kinase Inhibitors GLAXOSMITHKLINE LLC (US) 2014-07-03 US disclosed
US-20140187545-A1 Pyrazolopyrimidine Derivatives As PI3 Kinase Inhibitors GLAXOSMITHKLINE LLC (US) 2014-07-03 US disclosed
US-20140187545-A1 Pyrazolopyrimidine Derivatives As PI3 Kinase Inhibitors GLAXOSMITHKLINE LLC (US) 2014-07-03 US disclosed
WO-2013028263-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-02-28 WO disclosed
WO-2013028263-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-02-28 WO 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-20140187545-A1 Pyrazolopyrimidine Derivatives As PI3 Kinase Inhibitors PI4KB, PIK3CA, PI4K2B PNMT 4737/4885CCR2 4030/4885CCR5 4086/4885

“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.