SCHEMBL6402301

SCHEMBL6402301

FC(F)(F)Oc1ccc(Nc2cc(-n3ccnc3)ncn2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 19/20 1.00
▸ BCR P11274 18/20 1.00
▸ CCNT1 O60563 1/20 0.52
▸ CCNE1 P24864 1/20 0.52
▸ CDK2 P24941 1/20 0.52
▸ CDK9 P50750 1/20 0.52
▸ HSF1 Q00613 1/20 0.52

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
SCHEMBL3395506 0.80 ABL1 (0.67) ABL1BCR
SCHEMBL3399556 0.76 ABL1 (0.78) ABL1BCR
SCHEMBL3399551 0.76 ABL1 (0.61) ABL1BCR
SCHEMBL12942539 0.75 ABL1 (1.00) ABL1BCR
SCHEMBL16609188 0.75 ABL1 (0.60) ABL1BCR
SCHEMBL3915342 0.74 ABL1 (1.00) ABL1BCR
SCHEMBL925183 0.74 ABL1 (0.62) ABL1BCR
SCHEMBL30559792 0.73 ABL1 (0.57) ABL1BCRCCNT1CCNE1CDK2
SCHEMBL21570550 0.73 ABL1 (0.57) ABL1BCRCCNT1CCNE1CDK2
SCHEMBL26429094 0.73 ABL1 (0.60) ABL1BCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110021524-A1 COMPOSITIONS AND METHODS FOR TREATING CANCERS IRM LLC (BM) 2011-01-27 — — US disclosed
WO-2009091476-A1 COMPOSITIONS AND METHODS FOR TREATING CANCERS IRM LLC (BM) 2009-07-23 — — WO disclosed
US-20050014753-A1 Novel compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2005-01-20 — — US 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-20110021524-A1 COMPOSITIONS AND METHODS FOR TREATING CANCERS ABL1, BCR, MCL1 ABL1 1/4885BCR 2/4885CCNT1 2223/4885
US-20050014753-A1 Novel compounds and compositions as protein kinase inhibitors ABL1, BCR, PDGFRA ABL1 1/4885BCR 2/4885CCNT1 925/4885

“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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