SCHEMBL2171359

SCHEMBL2171359

CC(CN)N1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.33
DPP7 Q9UHL4 1/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
FDPS P14324 2/20 0.31
MEN1 O00255 1/20 0.30
ALOX15 P16050 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL19924785 1.00 CYP3A4 (0.36) CYP3A4CYP2D6CYP2C19SMN1; SMN2DPP7
SCHEMBL15955649 1.00 CYP3A4 (0.36) CYP3A4CYP2D6CYP2C19SMN1; SMN2DPP7
SCHEMBL17331178 1.00 CYP3A4 (0.36) CYP3A4CYP2D6CYP2C19SMN1; SMN2DPP7
SCHEMBL12714695 0.97
SCHEMBL1613076 0.97
SCHEMBL1613074 0.97
SCHEMBL11224155 0.86 ALDH1A1 (0.37) ALDH1A1MEN1KMT2A
SCHEMBL21096753 0.86
SCHEMBL27565285 0.80 CYP3A4 (0.39) CYP3A4CYP2D6CYP2C19SMN1; SMN2DPP7
SCHEMBL3817000 0.80 DPP7 (0.35) CYP3A4CYP2D6CYP2C19SMN1; SMN2DPP7

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190202799-A1 IMIDAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF AUTOIMMUNE OR INFLAMMATORY DISEASES OR CANCERS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2019-07-04 US disclosed
US-9884063-B2 Amido-substituted azole compounds BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-02-06 US disclosed
EP-3126337-A2 AMIDO-SUBSTITUTED AZOLE COMPOUNDS Bayer Pharma Aktiengesellschaft (DE) 2017-02-08 EP disclosed
US-20170020886-A1 AMIDO-SUBSTITUTED AZOLE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-01-26 US disclosed
WO-2015150449-A2 AMIDO-SUBSTITUTED AZOLE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-10-08 WO disclosed
EP-2207801-B1 METHODS OF INHIBITING VIRAL INFECTION FUNCTIONAL GENETICS INC (US) 2013-04-17 EP disclosed
US-8207209-B2 Methods of inhibiting viral infection FUNCTIONAL GENETICS, INC. (US) 2012-06-26 US disclosed
EP-2346856-A1 2-[1H-BENZIMIDAZOL-2(3H)-YLIDENE]-2-(PYRIMIDIN-2-YL)ACETAMIDES AND 2-[BENZOTHIAZOL-2(3H)-YLIDENE]-2-(PYRIMIDIN-2-YL)ACETAMIDES AS KINASE INHIBITORS Telik, Inc. (US) 2011-07-27 EP disclosed
EP-2207801-A1 METHODS OF INHIBITING VIRAL INFECTION Functional Genetics, Inc. (US) 2010-07-21 EP disclosed
WO-2010036873-A1 2-[1H-Benzimidazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides and 2-[benzothiazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides as kinase inhibitors TELIK, INC. (US) 2010-04-01 WO disclosed
US-20040053942-A1 Fused pyrazole derivatives bieng protein kinase inhibitors SMITHKLINE BEECHAM CORPORATION 2004-03-18 US disclosed
US-20030225147-A1 Thiazole benzamide derivatives and pharmaceutical compositions for inhibiting cell proliferation, and methods for their use AGOURON PHARMACEUTICALS INC. 2003-12-04 US disclosed
EP-1311507-A1 FUSED PYRAZOLE DERIVATIVES BEING PROTEIN KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-05-21 EP disclosed
WO-2002016359-A1 FUSED PYRAZOLE DERIVATIVES BEING PROTEIN KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2002-02-28 WO disclosed
EP-0821594-A1 COMPOUNDS FOR CANCER IMAGING AND THERAPY JOHN, Christy S. (US) 1998-02-04 EP disclosed
US-4525356-A UROGENITAL DISORDERS HOKURIKU PHARMACEUTICAL CO., LTD. (JP) 1985-06-25 US disclosed
EP-0108986-A1 N-substituted flavone-8-carboxamides Hokuriku Pharmaceutical Co.,Ltd (JP) 1984-05-23 EP disclosed
US-4145347-A TREATMENT OF SENILITY, AMNESIA AND LEARNING DISORDERS PARKE, DAVIS & COMPANY (US) 1979-03-20 US disclosed
US-3993694-A BACTERICIDE HOECHST AKTIENGESELLSCHAFT (DT) 1976-11-23 US disclosed
US-3983173-A ANTIBIOTIC HOECHST AKTIENGESELLSCHAFT (DT) 1976-09-28 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 (4 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-20030225147-A1 Thiazole benzamide derivatives and pharmaceutical compositions for inhibiting cell proliferation, and methods for their use TK1, MKI67, CDKN1A CYP3A4 601/4885CYP2D6 580/4885CYP2C19 193/4885
US-20190202799-A1 IMIDAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF AUTOIMMUNE OR INFLAMMATORY DISEASES OR CANCERS BRD4, BRPF3, BRD3 CYP3A4 2346/4885CYP2D6 4268/4885CYP2C19 3746/4885
US-20170020886-A1 AMIDO-SUBSTITUTED AZOLE COMPOUNDS TNK1, TNNI3K, TNKS CYP3A4 698/4885CYP2D6 954/4885CYP2C19 222/4885
US-20040053942-A1 Fused pyrazole derivatives bieng protein kinase inhibitors RAF1, SBK3, MAP3K3 CYP3A4 1454/4885CYP2D6 2734/4885CYP2C19 2282/4885

“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.