SCHEMBL9610802

SCHEMBL9610802

CN1CCN(Cc2ccc(C(=O)Nc3cccc(-c4cnc5cnccn45)c3)cc2C(F)(F)F)CC1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 12/20 0.70
▸ KIT P10721 12/20 0.70
▸ BCR P11274 9/20 0.70
▸ DDR1 Q08345 8/20 0.70
▸ DDR2 Q16832 4/20 0.68
▸ CSF1R P07333 5/20 0.61
▸ ABL2 P42684 1/20 0.60
▸ MAPK14 Q16539 1/20 0.60
▸ LYN P07948 1/20 0.59
▸ RET P07949 1/20 0.58
▸ EGFR P00533 1/20 0.57
▸ BRAF P15056 1/20 0.57
▸ PDGFRB P09619 1/20 0.57

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 0.94 ABL1 (0.68) ABL1KITBCRDDR1DDR2
SCHEMBL9611028 0.86 ABL1 (0.58) ABL1KITBCRDDR1DDR2
SCHEMBL9611036 0.86 ABL1 (0.75) ABL1KITBCRDDR1CSF1R
SCHEMBL9610979 0.86 ABL1 (0.69) ABL1KITBCRDDR1DDR2
SCHEMBL15061738 0.85 ABL1 (0.77) ABL1KITDDR1DDR2ABL2
SCHEMBL9611105 0.85 ABL1 (0.69) ABL1KITBCRCSF1RABL2
SCHEMBL15871941 0.85 ABL1 (0.69) ABL1KITBCRDDR1DDR2
SCHEMBL10265846 0.84 ABL1 (0.68) ABL1KITBCRDDR1DDR2
SCHEMBL10207568 0.81 ABL1 (0.79) ABL1KITBCRDDR1DDR2
SCHEMBL9611057 0.80 ABL1 (0.67) ABL1BCRDDR1DDR2ABL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9029533-B2 Substituted acetylenic imidazo[1,2-A]pyridazines as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2015-05-12 — — US disclosed
US-20150105377-A1 Methods and Compositions for RAF Kinase Mediated Diseases ARIAD PHARMACEUTICALS, INC. 2015-04-16 — — US disclosed
US-20130231337-A1 Bicyclic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. (US) 2013-09-05 — — US disclosed
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 (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-20150105377-A1 Methods and Compositions for RAF Kinase Mediated Diseases BRAF, RAF1, NRAS ABL1 75/4885KIT 452/4885BCR 298/4885
US-20070191376-A1 Bicyclic heteroaryl compounds CYP3A43, CYP11B2, CYP2F1 ABL1 110/4885KIT 824/4885BCR 250/4885
US-20130231337-A1 Bicyclic Heteroaryl Compounds CYP3A43, CYP11B2, CYP2F1 ABL1 110/4885KIT 824/4885BCR 250/4885
US-20120135986-A1 Bicyclic Heteroaryl Compounds CYP3A43, CYP11B2, CYP2F1 ABL1 110/4885KIT 824/4885BCR 250/4885

“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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