SCHEMBL6435658

SCHEMBL6435658

c1ccc(Oc2ccnc3cc[nH]c23)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 6/20 0.47
EGFR P00533 5/20 0.47
ERBB3 P21860 5/20 0.47
ERBB4 Q15303 5/20 0.47
TRPA1 O75762 1/20 0.40
BRD4 O60885 2/20 0.39
FGFR2 P21802 2/20 0.38
BRAF P15056 2/20 0.38
MAPK1 P28482 1/20 0.36
MAPT P10636 1/20 0.36
DYRK1A Q13627 1/20 0.36

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
SCHEMBL6431905 0.78 LTA4H (0.44) ERBB2EGFRERBB3ERBB4MAPK1
SCHEMBL845394 0.75 MAPK1 (0.41) BRD4MAPK1DYRK1A
SCHEMBL1897179 0.72 ERBB2 (0.55) ERBB2EGFRFGFR2BRAFMAPT
SCHEMBL9379898 0.71 DYRK1A (0.41) ERBB2EGFRERBB3ERBB4MAPK1
SCHEMBL16432196 0.71 TRPA1 (0.55) ERBB2EGFRERBB3ERBB4TRPA1
SCHEMBL4718619 0.70 KEAP1 (0.49) TRPA1BRD4
SCHEMBL3571670 0.69 ROCK2 (0.42) ERBB2EGFRERBB3ERBB4TRPA1
SCHEMBL27300483 0.69 EGFR (0.45) ERBB2EGFRERBB3ERBB4MAPK1
SCHEMBL16432224 0.69 ERBB2 (0.46) ERBB2EGFRERBB3ERBB4TRPA1
SCHEMBL7460965 0.68 PLAU (0.46) ERBB2EGFRERBB3ERBB4FGFR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1257276-B1 ANTIVIRAL AZAINDOLE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2005-12-28 EP disclosed
US-6900323-B2 Antiviral azaindole derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2005-05-31 US disclosed
EP-1257276-A4 ANTIVIRAL AZAINDOLE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2004-10-27 EP disclosed
US-20040023982-A1 Antiviral azaindole derivatives VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2004-02-05 US disclosed
US-6632819-B1 HIV and AIDS BRISTOL-MYERS SQUIBB COMPANY 2003-10-14 US disclosed
US-20030181463-A1 Antiviral azaindole derivatives VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2003-09-25 US disclosed
EP-1257276-A1 ANTIVIRAL AZAINDOLE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-11-20 EP disclosed
US-6476034-B2 AIDS THERAPY BRISTOL-MYERS SQUIBB COMPANY 2002-11-05 US disclosed
US-20020119982-A1 Antiviral azaindole derivatives VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2002-08-29 US disclosed
US-20020061892-A1 Antiviral azaindole derivatives VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2002-05-23 US disclosed
WO-2001062255-A1 ANTIVIRAL AZAINDOLE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2001-08-30 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 (4 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-20020119982-A1 Antiviral azaindole derivatives ZC3HAV1, MAVS, AZI2 ERBB2 4571/4885EGFR 4646/4885ERBB3 4309/4885
US-20020061892-A1 Antiviral azaindole derivatives ZC3HAV1, MAVS, AZI2 ERBB2 4571/4885EGFR 4646/4885ERBB3 4309/4885
US-20040023982-A1 Antiviral azaindole derivatives ZC3HAV1, MAVS, EIF2AK2 ERBB2 4396/4885EGFR 4571/4885ERBB3 3977/4885
US-20030181463-A1 Antiviral azaindole derivatives ZC3HAV1, MAVS, AZI2 ERBB2 4571/4885EGFR 4646/4885ERBB3 4309/4885

“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.