SCHEMBL14916100

SCHEMBL14916100

Cn1cc(Br)cc(Nc2ccc(N3CCNCC3(C)C)cn2)c1=O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 5/20 0.38
▸ CCNE1 P24864 2/20 0.38
▸ BTK Q06187 10/20 0.37
▸ MAP4K1 Q92918 4/20 0.36
▸ CDK4 P11802 4/20 0.35
▸ CCND1 P24385 4/20 0.35
▸ CCNA2 P20248 3/20 0.35
▸ CCND2 P30279 3/20 0.35
▸ CCND3 P30281 3/20 0.35
▸ CCNA1 P78396 2/20 0.35
▸ FGFR1 P11362 1/20 0.35
▸ FGFR2 P21802 1/20 0.35
▸ FGFR4 P22455 1/20 0.35
▸ FGFR3 P22607 1/20 0.35

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
SCHEMBL29741791 1.00 CDK2 (0.38) CDK2CCNE1BTKMAP4K1CDK4
SCHEMBL1393033 0.85 CDK4 (0.48) CDK2CCNE1BTKMAP4K1CDK4
SCHEMBL29742006 0.85 CDK4 (0.48) CDK2CCNE1BTKMAP4K1CDK4
SCHEMBL1393056 0.81 CDK4 (0.43) CDK2BTKMAP4K1CDK4CCND1
SCHEMBL14916155 0.80 BTK (0.39) BTK
SCHEMBL29731764 0.80 BTK (0.51) CDK2CCNE1BTKCDK4CCND1
SCHEMBL29741961 0.80 BTK (0.51) CDK2CCNE1BTKCDK4CCND1
SCHEMBL14916485 0.80 BTK (0.51) CDK2CCNE1BTKCDK4CCND1
SCHEMBL14912860 0.80 BTK (0.51) CDK2CCNE1BTKCDK4CCND1
SCHEMBL29741805 0.80 BTK (0.51) CDK2CCNE1BTKCDK4CCND1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107011348-B Heteroaryl pyridone and aza-pyridone compounds as inhibitors of BTK activity 霍夫曼-拉罗奇有限公司 2020-01-10 — — CN 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-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 CDK2 170/4885CCNE1 1121/4885BTK 1/4885
US-20130116245-A1 ALKYLATED PIPERAZINE COMPOUNDS BTK, SYK, LCK CDK2 280/4885CCNE1 2365/4885BTK 1/4885
US-20150094302-A1 ALKYLATED PIPERAZINE COMPOUNDS BTK, SYK, LCK CDK2 170/4885CCNE1 1121/4885BTK 1/4885

“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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