SCHEMBL9611105

SCHEMBL9611105

CN1CCN(Cc2ccc(NC(=O)c3cccc(-c4cnc5ccccn45)c3)cc2C(F)(F)F)CC1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 10/20 0.69
▸ BCR P11274 1/20 0.69
▸ EGFR P00533 1/20 0.62
▸ BRAF P15056 1/20 0.62
▸ CSF1R P07333 4/20 0.62
▸ KIT P10721 4/20 0.62
▸ RET P07949 4/20 0.61
▸ ABL2 P42684 1/20 0.59

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
SCHEMBL9611022 0.91 ABL1 (0.68) ABL1BCREGFRBRAFCSF1R
SCHEMBL9610939 0.88 ABL1 (0.76) ABL1BCREGFRBRAFCSF1R
SCHEMBL10266444 0.88 ABL1 (0.69) ABL1BCREGFRBRAFKIT
SCHEMBL9610989 0.87 ABL1 (0.69) ABL1BCREGFRBRAFRET
SCHEMBL9610728 0.87 ABL1 (0.74) ABL1BCREGFRBRAFCSF1R
SCHEMBL10265557 0.86 ABL1 (0.75) ABL1BCREGFRBRAFCSF1R
SCHEMBL9610973 0.85 ABL1 (0.76) ABL1BCREGFRBRAFCSF1R
SCHEMBL9611011 0.85 ABL1 (0.64) ABL1BCREGFRBRAFRET
SCHEMBL10207561 0.85 ABL1 (0.80) ABL1ABL2
SCHEMBL9610802 0.85 ABL1 (0.70) ABL1BCREGFRBRAFCSF1R

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-20120135986-A1 Bicyclic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. (US) 2012-05-31 — — US disclosed
US-8114874-B2 Substituted acetylenic imidazo[1,2-B]pyridazine compounds as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2012-02-14 — — US disclosed
US-20070191376-A1 Bicyclic heteroaryl compounds TAKEDA PHARMACEUTICALS U.S.A., INC. 2007-08-16 — — 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-20070191376-A1 Bicyclic heteroaryl compounds CYP3A43, CYP11B2, CYP2F1 ABL1 110/4885BCR 250/4885EGFR 2266/4885
US-20120135986-A1 Bicyclic Heteroaryl Compounds CYP3A43, CYP11B2, CYP2F1 ABL1 110/4885BCR 250/4885EGFR 2266/4885

“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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