SCHEMBL1285861

SCHEMBL1285861

COc1nc2c(C)cc(O)cc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MGAM O43451 8/20 0.40
▸ GAA P10253 8/20 0.40
▸ SI P14410 8/20 0.40
▸ MGAM2 Q2M2H8 8/20 0.40
▸ BRD4 O60885 1/20 0.34
▸ DHODH Q02127 1/20 0.33
▸ RPS6KA3 P51812 1/20 0.33
▸ CYP3A4 P08684 2/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ MAOA P21397 1/20 0.32
▸ TBXA2R P21731 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ HTR2B P41595 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.31
▸ SMPD3 Q9NY59 1/20 0.31

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
SCHEMBL1285737 0.82 HTT (0.47) MGAMGAASIMGAM2DHODH
SCHEMBL6856394 0.75 PLAU (0.49) MGAMGAASIMGAM2BRD4
SCHEMBL1286066 0.73 CACNA1H (0.51) MGAMGAASIMGAM2
SCHEMBL1285574 0.70 BRD4 (0.45) BRD4
SCHEMBL20362738 0.69 BRD4 (0.61) BRD4
SCHEMBL10288043 0.68 HTT (0.44) MGAMGAASIMGAM2DHODH
SCHEMBL4360564 0.68 MAPT (0.40) GAATDP1
SCHEMBL1286182 0.67 ALDH1A1 (0.33) BRD4
SCHEMBL8014752 0.67 MGAM (0.43) MGAMGAASIMGAM2CYP3A4
SCHEMBL9306565 0.64 MAPT (0.41) MGAMGAASIMGAM2CYP3A4

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 9 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
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-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
EP-2379529-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-26 — — EP disclosed
WO-2010070022-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-24 — — WO 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 MGAM 3267/4885GAA 1088/4885SI 823/4885

“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.

Send feedback