SCHEMBL615329

SCHEMBL615329

CCc1cc(-c2nscc2-c2ccc(-c3ccccn3)cc2)cc(CC)c1CC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
ERN1 O75460 1/20 0.34
GRM5 P41594 2/20 0.34
TGFBR1 P36897 2/20 0.33
CHEK2 O96017 1/20 0.33
PRMT5 O14744 2/20 0.33
SQOR Q9Y6N5 1/20 0.33
ABL1 P00519 1/20 0.33
BCR P11274 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
DHODH Q02127 1/20 0.33
CYP2A6 P11509 1/20 0.33

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
SCHEMBL615590 0.82 CCNC (0.37) CYP2D6TGFBR1ALDH1A1LMNASMN1; SMN2
SCHEMBL617891 0.82 CCNC (0.39) ADORA1ALDH1A1LMNASMN1; SMN2
Dimethylamine SCHEMBL616593 0.81 CYP11B1 (0.40) PTGS1DHODHALDH1A1
SCHEMBL617188 0.80 TNIK (0.30)
SCHEMBL618742 0.79 MEN1 (0.40) CYP1A2CYP2D6CYP2C9CYP2C19PTGS1
SCHEMBL616168 0.79 NPC1 (0.48) ERN1NPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL1168381 0.79 PTGS2 (0.41) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL616592 0.78 PRKCI (0.35) CYP1A2CYP2D6CYP2C19ALDH1A1LMNA
SCHEMBL616089 0.76 PTGS2 (0.41) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL618016 0.76 MEN1 (0.41) CYP1A2CYP2C19NPC1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966172-B1 THIAZOLES FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP (US) 2014-01-08 EP disclosed
US-20130203824-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SUN LIJUN (US) 2013-08-08 US disclosed
US-20130203824-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SUN LIJUN (US) 2013-08-08 US disclosed
US-20130203824-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SUN LIJUN (US) 2013-08-08 US disclosed
US-8399435-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2013-03-19 US disclosed
US-8399435-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2013-03-19 US disclosed
US-8399435-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2013-03-19 US disclosed
US-20120040937-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. 2012-02-16 US disclosed
US-20120040937-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. 2012-02-16 US disclosed
US-20120040937-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. 2012-02-16 US disclosed
US-20090270353-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SUN LIJUN 2009-10-29 US disclosed
US-7572821-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2009-08-11 US disclosed
US-7572821-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2009-08-11 US disclosed
US-7572821-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2009-08-11 US disclosed
EP-1966172-A1 THIAZOLES FOR THE TREATMENT OF PROLIFERATIVE DISORDERS Synta Pharmaceuticals Corporation (US) 2008-09-10 EP disclosed
US-20070179159-A1 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. 2007-08-02 US disclosed
US-20070179159-A1 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. 2007-08-02 US disclosed
US-20070179159-A1 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. 2007-08-02 US disclosed
WO-2007061909-A1 THIAZOLES FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2007-05-31 WO disclosed
WO-2007061909-A1 THIAZOLES FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2007-05-31 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 (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-20070179159-A1 Compounds for the treatment of proliferative disorders RB1, MKI67, MAPRE1 CYP1A2 4059/4885CYP2D6 3936/4885CYP19A1 2360/4885
US-20120040937-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 CYP1A2 4059/4885CYP2D6 3936/4885CYP19A1 2360/4885
US-20090270353-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 CYP1A2 4059/4885CYP2D6 3936/4885CYP19A1 2360/4885
US-20130203824-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 CYP1A2 4059/4885CYP2D6 3936/4885CYP19A1 2360/4885

“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.