SCHEMBL1531597

SCHEMBL1531597

O=C(CNc1ccc(F)c(Cl)c1)NC1CCCN(c2ncnc3[nH]ccc23)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 1.00
TEC P42680 1/20 0.80
TXK P42681 1/20 0.80
BMX P51813 1/20 0.80
ITK Q08881 1/20 0.80

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
SCHEMBL10206526 1.00 BTK (1.00) BTKTECTXKBMXITK
SCHEMBL1531535 0.93 BTK (0.86) BTKTECTXKBMXITK
SCHEMBL10207241 0.93 BTK (0.86) BTKTECTXKBMXITK
SCHEMBL10206520 0.91 BTK (0.84) BTKTECTXKBMXITK
SCHEMBL10207710 0.90 BTK (0.82) BTKTECTXKBMXITK
SCHEMBL1531612 0.90 BTK (0.85) BTKTECTXKBMXITK
SCHEMBL10207414 0.89 BTK (1.00) BTKTECTXKBMXITK
SCHEMBL1531602 0.89 BTK (1.00) BTKTECTXKBMXITK
SCHEMBL1531460 0.89 BTK (0.80) BTKTECTXKBMXITK
SCHEMBL10207462 0.89 BTK (0.80) BTKTECTXKBMXITK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9045524-B2 Selective caspase inhibitors and uses thereof NOVAGENESIS FOUNDATION (CH) 2015-06-02 US disclosed
US-9029359-B2 Heteroaryl Btk inhibitors BIOGEN IDEC MA, INC. (US) 2015-05-12 US disclosed
US-9029359-B2 Heteroaryl Btk inhibitors BIOGEN IDEC MA, INC. (US) 2015-05-12 US disclosed
EP-2485589-A1 HETEROARYL BTK INHIBITORS Biogen Idec MA Inc. (US) 2012-08-15 EP disclosed
US-20120157442-A1 HETEROARYL BTK INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2012-06-21 US disclosed
US-20120157442-A1 HETEROARYL BTK INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2012-06-21 US disclosed
US-20120157394-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF NEW WORLD LABORATORIES, INC. (CA) 2012-06-21 US disclosed
WO-2011029043-A1 HETEROARYL BTK INHIBITORS BIOGEN IDEC MA INC. (US) 2011-03-10 WO 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-20120157442-A1 HETEROARYL BTK INHIBITORS BTK, LYN, SYK BTK 1/4885TEC 7/4885TXK 339/4885
US-20120157394-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF CASP1, VIP, CASP5 BTK 1068/4885TEC 1089/4885TXK 453/4885

“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.