SCHEMBL301886

SCHEMBL301886

Cc1cc(C(=NN)c2cc(N3CCOCC3)nc(OCC(C)(C)O)n2)oc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 2/20 0.38
ATRIP Q8WXE1 1/20 0.38
BRAF P15056 5/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
RAF1 P04049 4/20 0.33
PIK3CA P42336 4/20 0.33
PIK3CG P48736 1/20 0.33
TYK2 P29597 1/20 0.33
SYK P43405 1/20 0.33
BRSK1 Q8TDC3 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
PIK3CB P42338 2/20 0.32
GAA P10253 2/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL303147 0.86 TYK2 (0.36) CRHBPCRHR2ALDH1A1HPGDCYP1A2
SCHEMBL303145 0.86 TYK2 (0.36) CRHBPCRHR2ALDH1A1HPGDCYP1A2
SCHEMBL302828 0.84 SMN1; SMN2 (0.38) ALDH1A1PIK3CATSHRHSD17B10KMT2A
SCHEMBL302826 0.84 SMN1; SMN2 (0.38) ALDH1A1PIK3CATSHRHSD17B10KMT2A
SCHEMBL302346 0.83 CA12 (0.36) ATRATRIPBRAFALDH1A1HPGD
SCHEMBL302309 0.83 ATR (0.42) ATRATRIPBRAFALDH1A1HPGD
SCHEMBL301870 0.83 BRAF (0.34) ATRATRIPBRAFPIK3CA
SCHEMBL302590 0.81 KDM4E (0.41) ATRATRIPBRAFALDH1A1HPGD
SCHEMBL303427 0.80 ATR (0.39) ATRATRIPBRAFCRHBPCRHR2
SCHEMBL303501 0.79 ATR (0.41) ATRATRIPALDH1A1HPGDPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4851337-B2 2012-01-11 JP claimed
US-7935698-B2 Heteroaryl-hydrazone compounds SYNTA PHARMACEUTICALS CORPORATION (US) 2011-05-03 US claimed
EP-1689403-A4 HETEROARYL-HYDRAZONE COMPOUNDS SYNTA PHARMACEUTICALS CORP (US) 2007-09-05 EP claimed
JP-2007510748-A 2007-04-26 JP claimed
EP-1689403-A2 HETEROARYL-HYDRAZONE COMPOUNDS Synta Pharmaceuticals Corporation (US) 2006-08-16 EP claimed
US-20050282809-A1 Heteroaryl-hydrazone compounds LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2005-12-22 US claimed
WO-2005046604-A2 HETEROARYL-HYDRAZONE COMPOUNDS SYNTA PHARMACEUTICALS, CORP. (US) 2005-05-26 WO claimed
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP (US) 2015-06-25 US disclosed
US-20120021434-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2012-01-26 US disclosed
US-7935698-B2 Heteroaryl-hydrazone compounds SYNTA PHARMACEUTICALS CORPORATION (US) 2011-05-03 US disclosed
US-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS SYNTA PHARMACEUTICALS CORPORATION (US) 2011-04-28 US disclosed
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2009-06-25 US disclosed
EP-1689403-A4 HETEROARYL-HYDRAZONE COMPOUNDS SYNTA PHARMACEUTICALS CORP (US) 2007-09-05 EP disclosed
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders SYNTA PHARMACEUTICALS CORP. (US) 2007-02-08 US disclosed
EP-1689403-A2 HETEROARYL-HYDRAZONE COMPOUNDS Synta Pharmaceuticals Corporation (US) 2006-08-16 EP disclosed
US-20050282809-A1 Heteroaryl-hydrazone compounds LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2005-12-22 US disclosed
WO-2005046604-A2 HETEROARYL-HYDRAZONE COMPOUNDS SYNTA PHARMACEUTICALS, CORP. (US) 2005-05-26 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 (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 ATR 4882/4885ATRIP 4870/4885BRAF 1453/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 ATR 4840/4885ATRIP 4812/4885BRAF 892/4885
US-20050282809-A1 Heteroaryl-hydrazone compounds MMP12, IL1RN, CASP12 ATR 4363/4885ATRIP 3915/4885BRAF 3203/4885
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS IL17A, IL23R, IL2 ATR 4830/4885ATRIP 4176/4885BRAF 1217/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 ATR 4840/4885ATRIP 4812/4885BRAF 892/4885

“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.