SCHEMBL1286232

SCHEMBL1286232

Cc1cc(Nc2cc(Nc3ccc4c(c3)CC3(C4)C(=O)Nc4ncccc43)ncn2)cc2oc(=O)[nH]c12

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.43
▸ ADM2 Q7Z4H4 9/20 0.41
▸ CALCRL Q16602 10/20 0.40
▸ CALCB P10092 8/20 0.40

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
SCHEMBL2192451 0.88 CALCRL (0.41) ADM2CALCRLCALCB
SCHEMBL1285788 0.85 ADM2 (0.41) ADM2CALCRLCALCB
SCHEMBL13906420 0.78 ADM2 (0.50) ADM2CALCRLCALCB
SCHEMBL3036259 0.76 ADM2 (0.50) ADM2CALCRLCALCB
Hydrochloric Acid SCHEMBL548949 0.75 ADM2 (0.49) ADM2CALCRLCALCB
SCHEMBL3040463 0.74 ADM2 (0.48) ADM2CALCRLCALCB
SCHEMBL549047 0.74 ADM2 (0.48) ADM2CALCRLCALCB
SCHEMBL3036260 0.74 ADM2 (0.48) ADM2CALCRLCALCB
SCHEMBL1744295 0.73 CALCRL (0.43) ADM2CALCRLCALCB
SCHEMBL14978098 0.73 CALCRL (0.46) ADM2CALCRLCALCB

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
EP-2379529-B1 CGRP-ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2015-06-10 — — EP disclosed
US-8952014-B2 Pyrimidine derivatives which are CGRP—antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-10 — — US disclosed
US-8952014-B2 Pyrimidine derivatives which are CGRP—antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-10 — — US disclosed
US-8952014-B2 Pyrimidine derivatives which are CGRP—antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-10 — — US disclosed
US-20120088755-A1 Novel Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-12 — — US disclosed
US-20120088755-A1 Novel Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-12 — — US disclosed
US-20120088755-A1 Novel Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-12 — — US disclosed
WO-2010070022-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-24 — — 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-20120088755-A1 Novel Compounds SLC26A4, F12, SLCO1B3 SYK 4533/4885ADM2 1191/4885CALCRL 501/4885

“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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