SCHEMBL9610973

SCHEMBL9610973

Cc1ccc(C(=O)Nc2ccc(CN3CCCN(C)CC3)c(C(F)(F)F)c2)cc1-c1cnc2ccccn12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 13/20 0.76
▸ BCR P11274 2/20 0.72
▸ ABL2 P42684 2/20 0.62
▸ BRAF P15056 6/20 0.61
▸ EGFR P00533 5/20 0.60
▸ KIT P10721 2/20 0.60
▸ GAK O14976 1/20 0.59
▸ MLNR O43193 1/20 0.59
▸ RIPK2 O43353 1/20 0.59
▸ JAK2 O60674 1/20 0.59
▸ NR1I2 O75469 1/20 0.59
▸ ABCB11 O95342 1/20 0.59
▸ MAP4K4 O95819 1/20 0.59
▸ NR3C1 P04150 1/20 0.59
▸ ERBB2 P04626 1/20 0.59
▸ NTRK1 P04629 1/20 0.59
▸ LCK P06239 1/20 0.59
▸ FYN P06241 1/20 0.59
▸ PGR P06401 1/20 0.59
▸ CSF1R P07333 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
SCHEMBL9610939 0.97 ABL1 (0.76) ABL1BCRABL2BRAFEGFR
SCHEMBL10265557 0.94 ABL1 (0.75) ABL1BCRABL2BRAFEGFR
SCHEMBL15499610 0.94 ABL1 (0.67) ABL1BCRABL2BRAFEGFR
SCHEMBL10265843 0.91 ABL1 (0.75) ABL1BCRABL2BRAFEGFR
SCHEMBL10264998 0.91 ABL1 (0.75) ABL1BCRABL2BRAFEGFR
SCHEMBL10265087 0.91 ABL1 (0.75) ABL1BCRABL2
SCHEMBL10266444 0.90 ABL1 (0.69) ABL1BCRABL2BRAFEGFR
SCHEMBL10265301 0.89 ABL1 (0.76) ABL1BCRABL2BRAFEGFR
SCHEMBL9610978 0.89 ABL1 (0.75) ABL1BCRABL2BRAFEGFR
SCHEMBL9610989 0.89 ABL1 (0.69) ABL1BCRBRAFEGFRRET

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 250/4885ABL2 1006/4885
US-20120135986-A1 Bicyclic Heteroaryl Compounds CYP3A43, CYP11B2, CYP2F1 ABL1 110/4885BCR 250/4885ABL2 1006/4885

“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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