SCHEMBL14915751

SCHEMBL14915751

C[C@@H]1CN(c2ccc(Nc3cc(Br)cn(C)c3=O)nc2)CCN1C

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 13/20 0.48
▸ CDK4 P11802 5/20 0.45
▸ CCND1 P24385 5/20 0.45
▸ CDK2 P24941 4/20 0.45
▸ ADRA2A P08913 2/20 0.39
▸ ADRA2B P18089 2/20 0.39
▸ ADRA2C P18825 2/20 0.39
▸ CCND3 P30281 3/20 0.39
▸ CCND2 P30279 1/20 0.39
▸ CCNA2 P20248 2/20 0.39
▸ CCNE1 P24864 2/20 0.39
▸ CDK6 Q00534 2/20 0.39

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
SCHEMBL14915752 1.00 BTK (0.48) BTKCDK4CCND1CDK2ADRA2A
SCHEMBL14916553 1.00 BTK (0.48) BTKCDK4CCND1CDK2ADRA2A
SCHEMBL14915354 0.88 BTK (0.42) BTKCDK4CCND1CCND3CCND2
SCHEMBL1394175 0.87 BTK (0.40) BTKCDK4CCND1CCND3CCND2
SCHEMBL14934337 0.87 BTK (0.41) BTK
SCHEMBL1393623 0.86 BTK (0.42) BTK
SCHEMBL708026 0.86 BTK (0.52) BTKCDK4CCND1CCND3CCND2
SCHEMBL18778753 0.86 BTK (0.45) BTK
SCHEMBL14915792 0.85 CDK4 (0.45) BTKCDK4CCND1CDK2CCND3
SCHEMBL14915902 0.85 CDK4 (0.45) BTKCDK4CCND1CDK2CCND3

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 16 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
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-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-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
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-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
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
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 1/4885CDK4 463/4885CCND1 1461/4885
US-20130116245-A1 ALKYLATED PIPERAZINE COMPOUNDS BTK, SYK, LCK BTK 1/4885CDK4 747/4885CCND1 2545/4885
US-20150094302-A1 ALKYLATED PIPERAZINE COMPOUNDS BTK, SYK, LCK BTK 1/4885CDK4 463/4885CCND1 1461/4885

“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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