SCHEMBL20007626

SCHEMBL20007626

CC#CC(=O)N1CCCC[C@H](c2nc(-c3ccc(Oc4ccccc4)cc3)c(C(N)=O)s2)CC1

nearest known ligand 0.87

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.87
EGFR P00533 1/20 0.58
BMX P51813 1/20 0.58
ITK Q08881 1/20 0.58

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
SCHEMBL19573478 0.96 BTK (0.85) BTKEGFRBMXITK
SCHEMBL15472580 0.93 BTK (1.00) BTKEGFRBMXITK
SCHEMBL15472615 0.85 BTK (1.00) BTKEGFRBMXITK
SCHEMBL20007850 0.85 BTK (0.84) BTKEGFRBMXITK
SCHEMBL4767842 0.85 BTK (1.00) BTKEGFR
SCHEMBL11957358 0.84 BTK (0.98) BTK
SCHEMBL15472587 0.83 BTK (1.00) BTK
SCHEMBL15472609 0.82 BTK (1.00) BTK
SCHEMBL28132482 0.81 BTK (0.81) BTKEGFR
SCHEMBL16597655 0.80 BTK (0.69) BTKEGFR

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-10875852-B2 Heteroaromatic compounds as BTK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-12-29 US disclosed
US-20190112302-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2019-04-18 US disclosed
US-20180086748-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2018-03-29 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 (3 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-20180086748-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BTK, SYK, LCK BTK 1/4885EGFR 357/4885BMX 4/4885
US-10875852-B2 Heteroaromatic compounds as BTK inhibitors BTK, SYK, LCK BTK 1/4885EGFR 357/4885BMX 4/4885
US-20190112302-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BTK, SYK, LCK BTK 1/4885EGFR 357/4885BMX 4/4885

“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.