SCHEMBL9611050

SCHEMBL9611050

Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(Cl)c2)cc1-c1cnc2cccnn12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 17/20 0.74
▸ CYP3A4 P08684 5/20 0.66
▸ KCNH2 Q12809 5/20 0.66
▸ BCR P11274 4/20 0.62
▸ LCK P06239 3/20 0.59
▸ SRC P12931 3/20 0.59
▸ PDGFRA P16234 3/20 0.59
▸ EPHB2 P29323 3/20 0.59
▸ EPHB3 P54753 3/20 0.59
▸ EPHB4 P54760 3/20 0.59
▸ ABL2 P42684 2/20 0.59
▸ DDR2 Q16832 2/20 0.59
▸ 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
▸ EGFR P00533 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
SCHEMBL9610974 0.89 ABL1 (0.75) ABL1CYP3A4KCNH2BCRLCK
SCHEMBL9610953 0.89 ABL1 (0.77) ABL1CYP3A4KCNH2BCRLCK
SCHEMBL10265606 0.89 ABL1 (0.64) ABL1CYP3A4KCNH2BCRLCK
SCHEMBL9610934 0.87 ABL1 (0.75) ABL1CYP3A4KCNH2BCRLCK
SCHEMBL589689 0.85 ABL1 (1.00) ABL1CYP3A4KCNH2BCRLCK
SCHEMBL12989619 0.85 ABL1 (1.00) ABL1CYP3A4KCNH2BCRLCK
SCHEMBL9610999 0.83 ABL1 (0.76) ABL1CYP3A4KCNH2BCRLCK
SCHEMBL10266091 0.82 ABL1 (0.68) ABL1CYP3A4KCNH2BCRLCK
SCHEMBL13813530 0.81 ABL1 (0.58) ABL1CYP3A4KCNH2BCRLCK
SCHEMBL9610950 0.81 ABL1 (0.75) ABL1CYP3A4KCNH2BCRLCK

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 110/4885CYP3A4 14/4885KCNH2 1587/4885
US-20120135986-A1 Bicyclic Heteroaryl Compounds CYP3A43, CYP11B2, CYP2F1 ABL1 110/4885CYP3A4 14/4885KCNH2 1587/4885

“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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