SCHEMBL1068623

SCHEMBL1068623

CN(Cc1ccc(Cl)cc1)c1cncc(-c2ccc(C(=O)N3CCCCC3)cc2)n1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.52
▸ LSS P48449 2/20 0.48
▸ ALDH1A1 P00352 4/20 0.47
▸ MAPT P10636 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ GRM5 P41594 5/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ PKM P14618 1/20 0.43
▸ CHRNA7 P36544 1/20 0.42
▸ HSD11B1 P28845 1/20 0.41

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
SCHEMBL5478616 0.76 HPGD (0.45) HPGDLSSALDH1A1MAPTRAB9A
SCHEMBL5959106 0.72 KMT2A (0.57) MAPTKMT2AMEN1LMNANPSR1
SCHEMBL3455787 0.70 HPGD (0.80) HPGDALDH1A1MAPTRAB9ANPC1
SCHEMBL11112400 0.70 HPGD (0.80) HPGDALDH1A1MAPTRAB9ANPC1
SCHEMBL6738681 0.70 HPGD (0.48) HPGDALDH1A1RAB9ANPC1KMT2A
SCHEMBL13838899 0.70 HPGD (0.59) HPGDLSSALDH1A1MAPTRAB9A
SCHEMBL24370226 0.69 HPGD (0.56) HPGDALDH1A1RAB9ANPC1KMT2A
Hydrochloric Acid SCHEMBL4034198 0.69 HPGD (0.77) HPGDALDH1A1MAPTRAB9ANPC1
SCHEMBL31387921 0.69 HPGD (0.76) HPGDALDH1A1MAPTRAB9ANPC1
SCHEMBL20467519 0.68 HPGD (1.00) HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2270200-A2 Kinase inhibitors, and methods of using and identifying kinase inhibitors CGI Pharmaceuticals, Inc. (US) 2011-01-05 — — EP claimed
US-20100160292-A1 Kinase Inhibitors, and Methods of Using and Identifying Kinase Inhibitors CGI PHARMACEUTICALS, INC (US) 2010-06-24 — — US claimed
EP-2068849-A2 KINASE INHIBITORS, AND METHODS OF USING AND IDENTIFYING KINASE INHIBITORS CGI Pharmaceuticals, Inc. (US) 2009-06-17 — — EP claimed
WO-2008033858-A2 KINASE INHIBITORS, AND METHODS OF USING AND IDENTIFYING KINASE INHIBITORS CGI PHARMACEUTICALS, INC. (US) 2008-03-20 — — WO claimed
EP-1863766-A2 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF CGI Pharmaceuticals, Inc. (US) 2007-12-12 — — EP claimed
US-20060229337-A1 Certain substituted amides, method of making, and method of use thereof GILEAD CONNECTICUT, INC. 2006-10-12 — — US claimed
WO-2006099075-A2 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF CGI PHARMACEUTICALS, INC. (US) 2006-09-21 — — WO claimed
US-20040053927-A1 Certain amino-substituted monocycles as kinase modulators GILEAD CONNECTICUT, INC. 2004-03-18 — — US claimed
WO-2004000318-A2 CERTAIN AMINO-SUBSTITUTED MONOCYCLES AS KINASE MODULATORS CELLULAR GENOMICS, INC. (US) 2003-12-31 — — WO claimed
US-7947835-B2 Certain substituted amides, method of making, and method of use thereof CGI PHARMACEUTICALS, INC. (US) 2011-05-24 — — US disclosed
EP-2270200-A2 Kinase inhibitors, and methods of using and identifying kinase inhibitors CGI Pharmaceuticals, Inc. (US) 2011-01-05 — — EP disclosed
US-20100160292-A1 Kinase Inhibitors, and Methods of Using and Identifying Kinase Inhibitors CGI PHARMACEUTICALS, INC (US) 2010-06-24 — — US disclosed
EP-2068849-A2 KINASE INHIBITORS, AND METHODS OF USING AND IDENTIFYING KINASE INHIBITORS CGI Pharmaceuticals, Inc. (US) 2009-06-17 — — EP disclosed
WO-2008033858-A2 KINASE INHIBITORS, AND METHODS OF USING AND IDENTIFYING KINASE INHIBITORS CGI PHARMACEUTICALS, INC. (US) 2008-03-20 — — WO disclosed
EP-1863766-A2 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF CGI Pharmaceuticals, Inc. (US) 2007-12-12 — — EP disclosed
US-20060229337-A1 Certain substituted amides, method of making, and method of use thereof GILEAD CONNECTICUT, INC. 2006-10-12 — — US disclosed
WO-2006099075-A2 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF CGI PHARMACEUTICALS, INC. (US) 2006-09-21 — — WO disclosed
US-7015227-B2 Certain amino-substituted monocycles as kinase modulators CGI PHARMACEUTICALS, INC. (US) 2006-03-21 — — US disclosed
US-20040053927-A1 Certain amino-substituted monocycles as kinase modulators GILEAD CONNECTICUT, INC. 2004-03-18 — — US disclosed
WO-2004000318-A2 CERTAIN AMINO-SUBSTITUTED MONOCYCLES AS KINASE MODULATORS CELLULAR GENOMICS, INC. (US) 2003-12-31 — — WO 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-20040053927-A1 Certain amino-substituted monocycles as kinase modulators MAP3K1, MAP3K20, MAP3K6 HPGD 3022/4885LSS 2704/4885ALDH1A1 3689/4885
US-20100160292-A1 Kinase Inhibitors, and Methods of Using and Identifying Kinase Inhibitors BTK, LYN, LCK HPGD 4495/4885LSS 3013/4885ALDH1A1 4825/4885
US-20060229337-A1 Certain substituted amides, method of making, and method of use thereof BTK, SYK, MYD88 HPGD 2365/4885LSS 1161/4885ALDH1A1 3686/4885

“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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