SCHEMBL2033581

SCHEMBL2033581

N#Cc1cn(-c2ccccc2)nc1N

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.63
NPSR1 Q6W5P4 3/20 0.55
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
ALDH1A1 P00352 3/20 0.54
ALOX12 P18054 1/20 0.54
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
KDM4E B2RXH2 3/20 0.47
HSD17B10 Q99714 3/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ADORA1 P30542 6/20 0.45
ADORA2A P29274 5/20 0.45
ADORA2B P29275 4/20 0.45
PKM P14618 1/20 0.45
HPGD P15428 1/20 0.45
ADORA3 P0DMS8 1/20 0.44
MPO P05164 1/20 0.43
MAPKAPK2 P49137 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
SCHEMBL11937730 0.81 XDH (0.55) NPSR1
SCHEMBL30405499 0.79 TSHR (0.63) TSHRNPSR1MEN1KMT2AALDH1A1
SCHEMBL4911079 0.77 HTT (0.46) TSHRMEN1KMT2AALDH1A1ALOX12
SCHEMBL27830392 0.76 TSHR (0.59) TSHRNPSR1MEN1KMT2AALDH1A1
SCHEMBL3568443 0.75 ADORA1 (0.51) TSHRNPSR1MEN1KMT2AALDH1A1
SCHEMBL6103728 0.73 TSHR (0.56) TSHRNPSR1MEN1KMT2AALDH1A1
SCHEMBL2031411 0.73 TSHR (0.56) TSHRNPSR1MEN1KMT2AALDH1A1
SCHEMBL11337983 0.72 ADORA1 (0.54) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL27830395 0.71 TSHR (0.54) TSHRNPSR1MEN1KMT2AALDH1A1
SCHEMBL161588 0.71 ADORA2A (0.47) TSHRMEN1KMT2AALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2341775-B1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME (US) 2014-03-12 EP disclosed
EP-2341775-B1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME (US) 2014-03-12 EP disclosed
US-8415346-B2 Inhibitors of Janus kinases MERCK SHARP & DOHME CORP. (US) 2013-04-09 US disclosed
US-8415346-B2 Inhibitors of Janus kinases MERCK SHARP & DOHME CORP. (US) 2013-04-09 US disclosed
US-8415346-B2 Inhibitors of Janus kinases MERCK SHARP & DOHME CORP. (US) 2013-04-09 US disclosed
EP-2341775-A1 INHIBITORS OF JANUS KINASES Merck & Co., Inc. (US) 2011-07-13 EP disclosed
US-20110130393-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2011-06-02 US disclosed
US-20110130393-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2011-06-02 US disclosed
US-20110130393-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2011-06-02 US disclosed
WO-2010014453-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2010-02-04 WO disclosed
WO-2006033995-A2 THIAZOLIDIN-4-ONES HAVING ANTI-HEPATITIS B ACTIVITY VALEANT RESEARCH AND DEVELOPMENT (US) 2006-03-30 WO disclosed
US-6331555-B1 EVALUATING SUSCEPTIBILITY OF CANCER TO COMPOUNDS WHICH INHIBIT PLATELET DERIVED GROWTH FACTOR RECEPTOR ACTIVITY UNIVERSITY OF CALIFORNIA 2001-12-18 US disclosed
EP-1000617-A2 Treatment of platelet derived growth factor related disorders such as cancers using inhibitors of platelet derived growth receptor Sugen, Inc. (US) 2000-05-17 EP disclosed
US-5990141-A ADMINISTERING 5-METHYL-ISOXAZOLE-4-CARBOXYLIC ACID-N-(4-TRIFLUOROMETHYL)ANILIDE OR 2-CYANO-3-HYDROXY-N-(4-TRIFLUORO-METHYL)PHENYL-2-BUTENAMIDE; ANTITUMOR,-CARCINOGENIC AND PROLIFERATIVE AGENTS; KINASE INHIBITORS SUGEN INC. (US) 1999-11-23 US disclosed
US-5958959-A ADMINISTERING 5-METHYLISOXAZOLE-4-CARBOXYLIC ACID-(4-TRIFLUOROMETHYL)ANILIDE OR 2-CYANO-3-HYDROXY-N-(4-(TRIFLUOROMETHYL)PHENYL)-2-BUTENAMIDE SUGEN, INC. (US) 1999-09-28 US disclosed
US-5932602-A ANTIGROWTH AGENTS; ANTITUMOR AGENT; USING AN ISOOXIDAZOLE COMPOUND SUGEN, INC. (US) 1999-08-03 US disclosed
US-5700822-A ADMINISTERING TO THE PATIENT AN EFFECTIVE AMOUNT OF ISOXAZOLE AMIDE DERIVATIOVE AND CYANO, HYDROXY, AROMATIC AMIDE DERIVATIVE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-12-23 US disclosed
EP-0804191-A1 TREATMENT OF PLATELET DERIVED GROWTH FACTOR RELATED DISORDERS SUCH AS CANCERS USING INHIBITORS OF PLATELET DERIVED GROWTH RECEPTOR Sugen, Inc. (US) 1997-11-05 EP disclosed
WO-1995019169-A2 TREATMENT OF PLATELET DERIVED GROWTH FACTOR RELATED DISORDERS SUCH AS CANCER USING INHIBITORS OF PLATELET DERIVED GROWTH FACTOR RECEPTOR SUGEN, INC. (US) 1995-07-20 WO disclosed
WO-1994026260-A1 METHODS AND COMPOUNDS FOR INHIBITING CELL PROLIFERATIVE DISORDERS CHARACTERIZED BY ABNORMAL abl ACTIVITY YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM 46 Jabotinsky Street (IL) 1994-11-24 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 (1 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-20110130393-A1 INHIBITORS OF JANUS KINASES JAK2, JAK3, JAK1 TSHR 1389/4885NPSR1 4059/4885MEN1 1115/4885

“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.