SCHEMBL14840940

SCHEMBL14840940

Cc1cc(-c2nn[nH]n2)ncc1Br

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 5/20 0.49
▸ PTK2 Q05397 1/20 0.42
▸ PBRM1 Q86U86 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ HCAR3 P49019 3/20 0.40
▸ ATM Q13315 1/20 0.40
▸ KMO O15229 1/20 0.39
▸ GPR35 Q9HC97 2/20 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
SCHEMBL1458943 0.71 ATM (0.58) PTK2PBRM1ATM
SCHEMBL30277848 0.70 ATM (0.56) HCAR2PTK2PBRM1KDM4EATM
SCHEMBL2174213 0.70 ATM (0.56) HCAR2PTK2PBRM1KDM4EATM
SCHEMBL14753984 0.70 CCR1 (0.54) HCAR2GAAKDM4E
SCHEMBL20265528 0.70 PTK2 (0.50) HCAR2PTK2PBRM1GAAATM
SCHEMBL17678907 0.70 PTK2 (0.54) HCAR2PTK2PBRM1ATM
SCHEMBL14840715 0.69 EPHX2 (0.34) —
SCHEMBL16583618 0.68 ATM (0.53) HCAR2PTK2GAAATM
SCHEMBL30907323 0.68 HAO1 (0.39) —
SCHEMBL14116389 0.66 PTK2 (0.49) HCAR2PTK2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013050270-A1 BENZOXAZINE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-04-11 — — WO disclosed
US-20130090333-A1 BENZOXAZINE DERIVATIVES AS CRAC MODULATORS HOFFMANN-LA ROCHE INC. (US) 2013-04-11 — — US disclosed
WO-2013050270-A1 BENZOXAZINE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-04-11 — — WO disclosed
WO-2013050341-A1 AZABENZOXAZINE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-04-11 — — WO disclosed
US-20130090333-A1 BENZOXAZINE DERIVATIVES AS CRAC MODULATORS HOFFMANN-LA ROCHE INC. (US) 2013-04-11 — — US disclosed
US-20130090334-A1 AZABENZOXAZINE DERIVATIVES AS CRAC MODULATORS Hoffmann-La Roche Inc (US) 2013-04-11 — — US disclosed
US-20130090334-A1 AZABENZOXAZINE DERIVATIVES AS CRAC MODULATORS Hoffmann-La Roche Inc (US) 2013-04-11 — — US disclosed
US-20130090333-A1 BENZOXAZINE DERIVATIVES AS CRAC MODULATORS HOFFMANN-LA ROCHE INC. (US) 2013-04-11 — — US disclosed
US-20130090334-A1 AZABENZOXAZINE DERIVATIVES AS CRAC MODULATORS Hoffmann-La Roche Inc (US) 2013-04-11 — — US disclosed
WO-2013050341-A1 AZABENZOXAZINE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-04-11 — — 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 (2 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-20130090333-A1 BENZOXAZINE DERIVATIVES AS CRAC MODULATORS RYR2, CACNA1E, RYR1 HCAR2 95/4885PTK2 2387/4885PBRM1 1580/4885
US-20130090334-A1 AZABENZOXAZINE DERIVATIVES AS CRAC MODULATORS ORAI1, CACNA1E, RYR2 HCAR2 107/4885PTK2 2451/4885PBRM1 2521/4885

“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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