SCHEMBL302415

SCHEMBL302415

CC(C)(O)COc1nc(C(=NN)c2c[nH]c3ccccc23)cc(N2CCOCC2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 6/20 0.40
ATRIP Q8WXE1 1/20 0.40
PIK3CA P42336 8/20 0.40
MTOR P42345 4/20 0.40
ALDH1A1 P00352 5/20 0.39
PRKDC P78527 1/20 0.38
TYK2 P29597 1/20 0.37
SYK P43405 1/20 0.37
BRSK1 Q8TDC3 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
PDE4B Q07343 1/20 0.36
KDR P35968 2/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 2/20 0.36
AKT1 P31749 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL302410 0.88 TYK2 (0.40) ATRPIK3CAMTORALDH1A1PRKDC
SCHEMBL302408 0.88 TYK2 (0.40) ATRPIK3CAMTORALDH1A1PRKDC
SCHEMBL302430 0.85 PIK3CA (0.41) ATRATRIPPIK3CAMTORALDH1A1
SCHEMBL302182 0.85 ALDH1A1 (0.41) ATRATRIPPIK3CAMTORALDH1A1
SCHEMBL303890 0.85 ALDH1A1 (0.42) PIK3CAMTORALDH1A1KDM4ELMNA
SCHEMBL303501 0.82 ATR (0.41) ATRATRIPPIK3CAALDH1A1TYK2
SCHEMBL302590 0.80 KDM4E (0.41) ATRATRIPPIK3CAALDH1A1TYK2
SCHEMBL303427 0.79 ATR (0.39) ATRATRIPMTORTYK2SYK
SCHEMBL302309 0.79 ATR (0.42) ATRATRIPPIK3CAALDH1A1TYK2
SCHEMBL303453 0.78 ALDH1A1 (0.43) ATRATRIPPIK3CAMTORALDH1A1

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 4870/4885PIK3CA 2168/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 ATR 4840/4885ATRIP 4812/4885PIK3CA 4463/4885
US-20050282809-A1 Heteroaryl-hydrazone compounds MMP12, IL1RN, CASP12 ATR 4363/4885ATRIP 3915/4885PIK3CA 2654/4885
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS IL17A, IL23R, IL2 ATR 4830/4885ATRIP 4176/4885PIK3CA 2128/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 ATR 4840/4885ATRIP 4812/4885PIK3CA 4463/4885

“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.