SCHEMBL14915354

SCHEMBL14915354

CC1CN(c2ccc(Nc3cc(Br)cn(C)c3=O)nc2)CCN1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 14/20 0.42
▸ CHRM5 P08912 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ CHRM3 P20309 1/20 0.38
▸ WNT3A P56704 1/20 0.38
▸ CHRM4 P08173 3/20 0.37
▸ YES1 P07947 1/20 0.37
▸ FGR P09769 1/20 0.37
▸ TEC P42680 1/20 0.37
▸ BMX P51813 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ SLK Q9H2G2 1/20 0.37
▸ CDK4 P11802 1/20 0.37
▸ CCND1 P24385 1/20 0.37
▸ CCND2 P30279 1/20 0.37
▸ CCND3 P30281 1/20 0.37

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
SCHEMBL14927193 0.88 BTK (0.43) BTKWNT3A
SCHEMBL14924373 0.88 BTK (0.43) BTKWNT3A
SCHEMBL18776642 0.88 BTK (0.43) BTKWNT3A
SCHEMBL14915751 0.88 BTK (0.48) BTKCDK4CCND1CCND2CCND3
SCHEMBL14915752 0.88 BTK (0.48) BTKCDK4CCND1CCND2CCND3
SCHEMBL14916553 0.88 BTK (0.48) BTKCDK4CCND1CCND2CCND3
SCHEMBL14912227 0.87 BTK (0.39) BTK
SCHEMBL1393847 0.85 BTK (0.47) BTK
SCHEMBL1394175 0.83 BTK (0.40) BTKCDK4CCND1CCND2CCND3
SCHEMBL1394010 0.83 BTK (0.40) BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2773639-B1 ALKYLATED PIPERAZINE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY HOFFMANN LA ROCHE (CH) 2017-04-26 — — EP disclosed
US-9115152-B2 Alkylated piperazine compounds GENENTECH, INC. (US) 2015-08-25 — — US disclosed
US-20150094302-A1 ALKYLATED PIPERAZINE COMPOUNDS GENENTECH, INC. (US) 2015-04-02 — — US disclosed
US-8946213-B2 Alkylated piperazine compounds GENENTECH, INC. (US) 2015-02-03 — — US disclosed
EP-2773639-A1 ALKYLATED PIPERAZINE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY F.HOFFMANN-LA ROCHE AG (CH) 2014-09-10 — — EP disclosed
US-20140221365-A1 ALKYLATED PIPERAZINE COMPOUNDS GENENTECH, INC. (US) 2014-08-07 — — US disclosed
US-8729072-B2 Alkylated piperazine compounds F. HOFFMAN-LA ROCHE AG (CH) 2014-05-20 — — US disclosed
WO-2013067277-A1 ALKYLATED PIPERAZINE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY GENENTECH, INC. (US) 2013-05-10 — — WO disclosed
US-20130116245-A1 ALKYLATED PIPERAZINE COMPOUNDS GENENTECH, INC. (US) 2013-05-09 — — 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-20140221365-A1 ALKYLATED PIPERAZINE COMPOUNDS BTK, SYK, LCK BTK 1/4885CHRM5 4603/4885CHRM1 4421/4885
US-20130116245-A1 ALKYLATED PIPERAZINE COMPOUNDS BTK, SYK, LCK BTK 1/4885CHRM5 4282/4885CHRM1 3932/4885
US-20150094302-A1 ALKYLATED PIPERAZINE COMPOUNDS BTK, SYK, LCK BTK 1/4885CHRM5 4603/4885CHRM1 4421/4885

“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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