SCHEMBL10159131

SCHEMBL10159131

CC(C)=C1C=CNc2ncccc21

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ TNKS2 Q9H2K2 4/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ MCL1 Q07820 1/20 0.31
▸ PDK2 Q15119 1/20 0.31
▸ PDE5A O76074 1/20 0.31
▸ S100A4 P26447 1/20 0.31
▸ CDC25B P30305 1/20 0.31

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
SCHEMBL10196365 0.73 GAA (0.36) CYP1A2SMN1; SMN2TNKS2NPC1ALDH1A1
SCHEMBL30088112 0.62 CYP1A2 (0.51) CYP1A2SMN1; SMN2TNKS2NPC1ALDH1A1
SCHEMBL31746097 0.61 SMN1; SMN2 (0.41) CYP1A2SMN1; SMN2TNKS2NPC1ALDH1A1
SCHEMBL6787340 0.61 SMN1; SMN2 (0.41) CYP1A2SMN1; SMN2TNKS2NPC1ALDH1A1
SCHEMBL9586154 0.59 SMN1; SMN2 (0.33) CYP1A2SMN1; SMN2TNKS2GAAMAPT
SCHEMBL1809291 0.59 CA12 (0.31) CYP1A2SMN1; SMN2
SCHEMBL10044896 0.59 TDP2 (0.52) CYP1A2GAACYP2C19PDK2S100A4
SCHEMBL10044895 0.59 KMT2A (0.52) CYP1A2GAACYP2C19PDK2S100A4
SCHEMBL16187252 0.58 S100A4 (0.33) SMN1; SMN2GAAMAPTS100A4CDC25B
SCHEMBL1436952 0.57 LMNA (0.41) CYP1A2ALDH1A1GAAMAPTCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP (US) 2015-06-25 — — US disclosed
US-8263764-B2 IL-12 Modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2012-09-11 — — US disclosed
US-20120021434-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2012-01-26 — — US disclosed
US-20110294798-A1 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2011-12-01 — — US disclosed
US-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS SYNTA PHARMACEUTICALS CORPORATION (US) 2011-04-28 — — US disclosed
US-7863270-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2011-01-04 — — US disclosed
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2009-06-25 — — US disclosed
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders SYNTA PHARMACEUTICALS CORP. (US) 2007-02-08 — — US disclosed
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders SYNTA PHARMACEUTICALS CORP. (US) 2007-02-08 — — 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 (5 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-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS IL17A, IL23R, IL15 CYP1A2 443/4885SMN1; SMN2 4844/4885TNKS2 2347/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 CYP1A2 4750/4885SMN1; SMN2 4441/4885TNKS2 2097/4885
US-20110294798-A1 IL-12 MODULATORY COMPOUNDS IL2, IL4, IL15 CYP1A2 855/4885SMN1; SMN2 4879/4885TNKS2 2379/4885
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS IL17A, IL23R, IL2 CYP1A2 253/4885SMN1; SMN2 4265/4885TNKS2 1583/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 CYP1A2 4750/4885SMN1; SMN2 4441/4885TNKS2 2097/4885

“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.

Send feedback