SCHEMBL6073696

SCHEMBL6073696

Nc1c[c]c(Br)c(C(F)(F)F)c1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.38

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
SCHEMBL23122433 0.73 ALDH1A1 (0.40) ALDH1A1
SCHEMBL31711460 0.69 ALDH1A1 (0.42) ALDH1A1
SCHEMBL11149907 0.69 ALDH1A1 (0.42) ALDH1A1
SCHEMBL27468140 0.67 TSHR (0.47) ALDH1A1
SCHEMBL28534068 0.65 ALDH1A1 (0.40) ALDH1A1
SCHEMBL28530058 0.65 ABCC8 (0.34) ALDH1A1
SCHEMBL17042033 0.65 ALDH1A1 (0.41) ALDH1A1
SCHEMBL29044683 0.65 ALDH1A1 (0.43) ALDH1A1
SCHEMBL11135940 0.63 ALDH1A1 (0.51) ALDH1A1
SCHEMBL11901380 0.63 ALDH1A1 (0.44) ALDH1A1

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
US-7053070-B2 Pyrido[2,3-d]pyrimidine-2,7-diamine kinase inhibitors WARNER-LAMBERT COMPANY (US) 2006-05-30 — — US disclosed
US-20030073668-A1 Pyrido[2,3-d]pyrimidine-2,7-diamine kinase inhibitors BOOTH RICHARD JOHN (US) 2003-04-17 — — US disclosed
CN-1395578-A Byrido [2,3-d] pyrimidine-2, 7-diamine kinase inhibitors WARNER LAMBERT CO (US) 2003-02-05 — — CN disclosed
EP-1254137-A1 PYRIDO 2,3-d]PYRIMIDINE-2,7-DIAMINE KINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2002-11-06 — — EP disclosed
WO-2001055147-A1 PYRIDO[2,3-d]PYRIMIDINE-2,7-DIAMINE KINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-08-02 — — 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-20030073668-A1 Pyrido[2,3-d]pyrimidine-2,7-diamine kinase inhibitors CDK9, CDK19, CDK3 ALDH1A1 4111/4885

“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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