SCHEMBL14915791

SCHEMBL14915791

C[C@@H]1CN(c2ccc(Nc3cc(Br)cn(C)c3=O)nc2)CCN1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 18/20 0.45
▸ CCND1 P24385 7/20 0.45
▸ CDK2 P24941 4/20 0.45
▸ CDK6 Q00534 6/20 0.43
▸ CDK1 P06493 3/20 0.42
▸ CCNA2 P20248 3/20 0.42
▸ CCNB1 P14635 2/20 0.42
▸ CCNA1 P78396 2/20 0.42
▸ CSF1R P07333 1/20 0.41
▸ BTK Q06187 1/20 0.41
▸ CCND3 P30281 3/20 0.40
▸ CCND2 P30279 2/20 0.40
▸ MAP4K1 Q92918 1/20 0.40

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
SCHEMBL14915902 1.00 CDK4 (0.45) CDK4CCND1CDK2CDK6CDK1
SCHEMBL14915792 1.00 CDK4 (0.45) CDK4CCND1CDK2CDK6CDK1
SCHEMBL29742006 0.88 CDK4 (0.48) CDK4CCND1CDK2CCNA2CCNA1
SCHEMBL1393033 0.88 CDK4 (0.48) CDK4CCND1CDK2CCNA2CCNA1
SCHEMBL1394175 0.86 BTK (0.40) CDK4CCND1BTKCCND3CCND2
SCHEMBL14915752 0.85 BTK (0.48) CDK4CCND1CDK2CDK6CCNA2
SCHEMBL14916553 0.85 BTK (0.48) CDK4CCND1CDK2CDK6CCNA2
SCHEMBL14915751 0.85 BTK (0.48) CDK4CCND1CDK2CDK6CCNA2
SCHEMBL14924365 0.84 BTK (0.39) CDK4CCND1CDK2CDK6CCNA2
SCHEMBL170959 0.83 SYK (0.42) CDK4CCND1BTKCCND3CCND2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9782405-B2 Heteroaryl pyridone and aza-pyrodine compounds GENENTECH, INC. (US) 2017-10-10 — — US disclosed
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
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
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 CDK4 463/4885CCND1 1461/4885CDK2 170/4885
US-20130116245-A1 ALKYLATED PIPERAZINE COMPOUNDS BTK, SYK, LCK CDK4 747/4885CCND1 2545/4885CDK2 280/4885
US-20150094302-A1 ALKYLATED PIPERAZINE COMPOUNDS BTK, SYK, LCK CDK4 463/4885CCND1 1461/4885CDK2 170/4885

“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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