SCHEMBL302458

SCHEMBL302458

Cc1ccc(N/N=C\c2cc(N3CCOCC3)cc(OCCc3ccccn3)n2)cc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.52
▸ ALDH1A1 P00352 6/20 0.52
▸ GAA P10253 6/20 0.52
▸ SMN1; SMN2 Q16637 5/20 0.52
▸ HPGD P15428 5/20 0.52
▸ KDM4E B2RXH2 3/20 0.52
▸ TYK2 P29597 2/20 0.51
▸ SYK P43405 2/20 0.51
▸ IRAK4 Q9NWZ3 2/20 0.51
▸ FES P07332 1/20 0.51
▸ FER P16591 1/20 0.51
▸ FRK P42685 1/20 0.51
▸ CAMK1D Q8IU85 1/20 0.51
▸ PIKFYVE Q9Y2I7 1/20 0.51
▸ BRSK1 Q8TDC3 1/20 0.44
▸ NPC1 O15118 4/20 0.41
▸ RAB9A P51151 4/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MAPK1 P28482 1/20 0.41

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
SCHEMBL302459 1.00 MAPT (0.52) MAPTALDH1A1GAASMN1; SMN2HPGD
SCHEMBL10197192 1.00 MAPT (0.52) MAPTALDH1A1GAASMN1; SMN2HPGD
SCHEMBL430894 0.91 PIKFYVE (0.58) MAPTALDH1A1GAASMN1; SMN2HPGD
SCHEMBL10196781 0.91 PIKFYVE (0.58) MAPTALDH1A1GAASMN1; SMN2HPGD
SCHEMBL430895 0.91 PIKFYVE (0.58) MAPTALDH1A1GAASMN1; SMN2HPGD
SCHEMBL10196790 0.91 TYK2 (0.48) MAPTALDH1A1GAASMN1; SMN2HPGD
SCHEMBL428643 0.91 TYK2 (0.48) MAPTALDH1A1GAASMN1; SMN2HPGD
SCHEMBL428644 0.91 TYK2 (0.48) MAPTALDH1A1GAASMN1; SMN2HPGD
SCHEMBL429100 0.89 TYK2 (0.48) MAPTALDH1A1GAASMN1; SMN2HPGD
SCHEMBL429101 0.89 TYK2 (0.48) MAPTALDH1A1GAASMN1; SMN2HPGD

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 MAPT 238/4885ALDH1A1 1903/4885GAA 2575/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 MAPT 4316/4885ALDH1A1 3468/4885GAA 3596/4885
US-20050282809-A1 Heteroaryl-hydrazone compounds MMP12, IL1RN, CASP12 MAPT 3534/4885ALDH1A1 2084/4885GAA 436/4885
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS IL17A, IL23R, IL2 MAPT 2815/4885ALDH1A1 747/4885GAA 2317/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 MAPT 4316/4885ALDH1A1 3468/4885GAA 3596/4885

“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.

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