SCHEMBL920341

SCHEMBL920341

Nc1ccc(NC(=O)c2ccccc2)cn1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 2/20 0.67
KCNQ2 O43526 2/20 0.67
P4HTM Q9NXG6 1/20 0.67
PTPN1 P18031 3/20 0.63
PTPN2 P17706 1/20 0.63
RAB9A P51151 6/20 0.60
KDM4E B2RXH2 3/20 0.60
KMT2A Q03164 2/20 0.60
PLAU P00749 1/20 0.58
NPC1 O15118 5/20 0.57
NAMPT P43490 2/20 0.57
BCAT2 O15382 1/20 0.56
KDR P35968 1/20 0.55
SIRT1 Q96EB6 1/20 0.54
MEN1 O00255 1/20 0.54
POLB P06746 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
MAPT P10636 2/20 0.54
ALDH1A1 P00352 1/20 0.53
JAK2 O60674 1/20 0.53

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
Hydrochloric Acid SCHEMBL4188108 0.98 KCNQ3 (0.65) KCNQ3KCNQ2P4HTMPTPN1PTPN2
SCHEMBL10731336 0.83 KDM4E (0.71) P4HTMPTPN1RAB9AKDM4EKMT2A
SCHEMBL14854999 0.83 BCAT2 (0.64) KCNQ3KCNQ2P4HTMPTPN1PTPN2
SCHEMBL5648744 0.81 KCNQ3 (0.69) KCNQ3KCNQ2P4HTMPTPN1PTPN2
SCHEMBL26032533 0.81 KCNQ3 (0.57) KCNQ3KCNQ2PTPN1PTPN2RAB9A
SCHEMBL23488444 0.81 P4HTM (0.77) KCNQ3KCNQ2P4HTMPTPN1PTPN2
SCHEMBL1691584 0.80 GABRP (0.52) KCNQ3KCNQ2P4HTMKDM4ENAMPT
SCHEMBL6631968 0.80 KCNQ3 (0.58) KCNQ3KCNQ2P4HTMPTPN1PTPN2
SCHEMBL14864890 0.80 RAB9A (0.67) P4HTMRAB9AKDM4EKMT2ANPC1
SCHEMBL11326868 0.80 KCNQ3 (0.67) KCNQ3KCNQ2P4HTMPTPN1PTPN2

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
US-8735584-B2 Protein kinase inhibitors and use thereof MERCK PATENT GMBH (DE) 2014-05-27 US disclosed
CN-101952287-B Protein kinase inhibitors and use thereof MERCK SERONO SA 2013-11-27 CN disclosed
EP-2254889-B1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2012-12-19 EP disclosed
US-20110053906-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2011-03-03 US disclosed
CN-101952287-A Kinases inhibitor and application thereof MERCK SERONO SA 2011-01-19 CN disclosed
US-20110003859-A1 N- (6-AMINOPYRIDIN-3-YL) -3- (SULFONAMIDO) BENZAMIDE DERIVATIVES AS B-RAF INHIBITORS FOR THE TREATMENT OF CANCER ARRAY BIOPHARMA INC. (US) 2011-01-06 US disclosed
EP-2265574-A1 N- (6-AMINOPYRIDIN-3-YL) -3- (SULFONAMIDO) BENZAMIDE DERIVATIVES AS B-RAF INHIBITORS FOR THE TREATMENT OF CANCER Array Biopharma, Inc. (US) 2010-12-29 EP disclosed
EP-2254889-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF Merck Patent GmbH (DE) 2010-12-01 EP disclosed
WO-2009111280-A1 N- (6-AMINOPYRIDIN-3-YL) -3- (SULFONAMIDO) BENZAMIDE DERIVATIVES AS B-RAF INHIBITORS FOR THE TREATMENT OF CANCER ARRAY BIOPHARMA INC. (US) 2009-09-11 WO disclosed
WO-2009108670-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK SERONO S.A. (CH) 2009-09-03 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 (2 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-20110003859-A1 N- (6-AMINOPYRIDIN-3-YL) -3- (SULFONAMIDO) BENZAMIDE DERIVATIVES AS B-RAF INHIBITORS FOR THE TREATMENT OF CANCER BRAF, RAF1, ARAF KCNQ3 3646/4885KCNQ2 3756/4885P4HTM 4239/4885
US-20110053906-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MAP4K2, MAP3K20, MAP4K1 KCNQ3 2469/4885KCNQ2 1875/4885P4HTM 2110/4885

“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.