SCHEMBL1640068

SCHEMBL1640068

COc1nnc2ccccc2c1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.59
▸ ALDH1A1 P00352 2/20 0.59
▸ CYP2C19 P33261 2/20 0.59
▸ POLB P06746 2/20 0.59
▸ GPR3 P46089 1/20 0.50
▸ KDM4E B2RXH2 3/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ MAPT P10636 2/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ GLA P06280 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ RAD52 P43351 1/20 0.38
▸ NR1I3 Q14994 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ VDR P11473 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2B6 P20813 1/20 0.37
▸ AHR P35869 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
SCHEMBL25863814 0.80 ALDH1A1 (0.59) CYP1A2ALDH1A1CYP2C19POLBGPR3
SCHEMBL29450270 0.76 POLB (0.70) CYP1A2ALDH1A1CYP2C19POLBGPR3
SCHEMBL9694998 0.76 POLB (0.70) CYP1A2ALDH1A1CYP2C19POLBGPR3
SCHEMBL2724218 0.75 ALDH1A1 (1.00) CYP1A2ALDH1A1CYP2C19POLBKDM4E
SCHEMBL3461366 0.75 KDM4E (0.44) CYP1A2ALDH1A1CYP2C19POLBGPR3
SCHEMBL1640925 0.74 POLB (0.52) CYP1A2ALDH1A1CYP2C19POLBGPR3
SCHEMBL1408391 0.74 POLB (1.00) ALDH1A1POLBGPR3KDM4ESMN1; SMN2
SCHEMBL29395416 0.73 CYP1A2 (0.61) CYP1A2ALDH1A1CYP2C19POLBGPR3
SCHEMBL4272933 0.73 POLB (0.66) CYP1A2ALDH1A1CYP2C19POLBGPR3
SCHEMBL25863813 0.73 ALDH1A1 (0.50) CYP1A2ALDH1A1CYP2C19POLBGPR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012052556-A1 NOVEL HALOALKOXYQUINAZOLINES, AND PREPARATION AND USE THEREOF UNIVERSITÄT LEIPZIG (DE) 2012-04-26 — — WO disclosed
US-20110190272-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2011-08-04 — — US disclosed
US-20110098283-A1 3-CINNOLINECARBOXAMIDE DERIVATIVES AND THEIR USE FOR TREATING CANCER ASTRAZENECA AB 2011-04-28 — — US disclosed
US-7723337-B2 3-cinnolinecarboxamide derivatives and their use for treating cancer ASTRAZENECA AB (SE) 2010-05-25 — — US disclosed
US-20090012084-A1 3-CINNOLINECARBOXAMIDE DERIVATIVES AND THEIR USE FOR TREATING CANCER ASTRAZENECA AB (SE) 2009-01-08 — — 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 (3 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-20110190272-A1 CHEMICAL COMPOUNDS CSF3R, FLT3, CILK1 CYP1A2 4470/4885ALDH1A1 1561/4885CYP2C19 4226/4885
US-20110098283-A1 3-CINNOLINECARBOXAMIDE DERIVATIVES AND THEIR USE FOR TREATING CANCER CSF3R, CSF1R, KIT CYP1A2 3403/4885ALDH1A1 538/4885CYP2C19 2694/4885
US-20090012084-A1 3-CINNOLINECARBOXAMIDE DERIVATIVES AND THEIR USE FOR TREATING CANCER CSF3R, CSF1R, KIT CYP1A2 3403/4885ALDH1A1 538/4885CYP2C19 2694/4885

“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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