SCHEMBL3992008

SCHEMBL3992008

COc1cccc(-c2nc(Cl)c3c(F)nn(-c4ccccc4)c3n2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.53
RORC P51449 1/20 0.45
DHPS P49366 1/20 0.44
NR1H2 P55055 3/20 0.44
NR1H3 Q13133 3/20 0.44
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
CYP1A2 P05177 3/20 0.43
CYP3A4 P08684 3/20 0.43
CYP2C9 P11712 3/20 0.43
CYP2B6 P20813 2/20 0.43
AHR P35869 2/20 0.43
NR1I3 Q14994 2/20 0.43
VDR P11473 1/20 0.43
CFTR P13569 1/20 0.41
MAPT P10636 1/20 0.41
CYP2D6 P10635 2/20 0.41

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
SCHEMBL3988350 0.87 TP53 (0.53) TP53RORCNR1H2NR1H3ALDH1A1
SCHEMBL60445 0.78 SMN1; SMN2 (0.52) TP53DHPSALDH1A1SMN1; SMN2CYP1A2
SCHEMBL27694078 0.70 CYP1A2 (0.72) TP53ALDH1A1SMN1; SMN2ADORA2ACYP1A2
SCHEMBL29712524 0.69 CYP1A2 (0.67) TP53NR1H2NR1H3ALDH1A1SMN1; SMN2
SCHEMBL28315176 0.69 CYP1A2 (0.67) TP53NR1H2NR1H3ALDH1A1SMN1; SMN2
SCHEMBL61630 0.69 TSHR (0.51) TP53ALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL10367722 0.69 DHPS (0.62) TP53DHPSNR1H2NR1H3SMN1; SMN2
SCHEMBL27694132 0.69 ABCG2 (0.57) TP53DHPSALDH1A1SMN1; SMN2CYP1A2
SCHEMBL5324561 0.68 LMNA (0.60) TP53DHPSNR1H2NR1H3ALDH1A1
SCHEMBL24441105 0.67 TP53 (0.53) TP53NR1H2NR1H3ALDH1A1ADORA3

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-2078021-A2 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2009-07-15 EP disclosed
WO-2008115974-A2 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2008-09-25 WO disclosed
WO-2008115974-A2 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2008-09-25 WO disclosed
US-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2008-09-25 US disclosed
US-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2008-09-25 US disclosed
US-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2008-09-25 US 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-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS MTOR, PIK3CA, PDPK1 TP53 606/4885RORC 1509/4885DHPS 972/4885

“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.