SCHEMBL303143

SCHEMBL303143

COc1cccc(NN=Cc2cc(N3CCOCC3)nc(OCCc3ccccn3)n2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 2/20 0.62
SYK P43405 2/20 0.62
IRAK4 Q9NWZ3 2/20 0.62
FES P07332 1/20 0.62
FER P16591 1/20 0.62
FRK P42685 1/20 0.62
CAMK1D Q8IU85 1/20 0.62
PIKFYVE Q9Y2I7 1/20 0.62
BRSK1 Q8TDC3 1/20 0.55
PIK3CA P42336 8/20 0.43
PIK3CB P42338 3/20 0.43
PIK3CD O00329 2/20 0.43
CYP3A4 P08684 1/20 0.43
AKT1 P31749 1/20 0.43
MTOR P42345 1/20 0.42
SMG1 Q96Q15 1/20 0.42
POLB P06746 2/20 0.41
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL303142 1.00 TYK2 (0.62) TYK2SYKIRAK4FESFER
SCHEMBL13759349 0.92 TYK2 (0.51) TYK2SYKIRAK4FESFER
SCHEMBL429472 0.90 TYK2 (0.73) TYK2SYKIRAK4FESFER
SCHEMBL429471 0.90 TYK2 (0.73) TYK2SYKIRAK4FESFER
SCHEMBL424652 0.89 TYK2 (0.61) TYK2SYKIRAK4FESFER
SCHEMBL424653 0.89 TYK2 (0.61) TYK2SYKIRAK4FESFER
SCHEMBL430479 0.89 TYK2 (0.61) TYK2SYKIRAK4FESFER
SCHEMBL430480 0.89 TYK2 (0.61) TYK2SYKIRAK4FESFER
SCHEMBL302443 0.87 TYK2 (0.64) TYK2SYKIRAK4FESFER
SCHEMBL302444 0.87 TYK2 (0.64) TYK2SYKIRAK4FESFER

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 27 patents — showing the first 20. 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-20210140945-A1 METHODS OF TREATING NEUROLOGICAL DISEASES AND DISORDERS MADRIGAL PHARMACEUTICALS INC (US) 2021-05-13 US disclosed
US-20180217130-A1 COMPOSITIONS AND METHODS FOR TREATING SYSTEMIC LUPUS ERYTHEMATOSUS MADRIGAL PHARMACEUTICALS INC (US) 2018-08-02 US disclosed
US-9910031-B2 Compositions and methods for modulating c-Rel-dependent cytokine production MADRIGAL PHARMACEUTICALS, INC. (US) 2018-03-06 US disclosed
US-20160003804-A1 COMPOSITIONS AND METHODS FOR MODULATING C-REL-DEPENDENT CYTOKINE PRODUCTION ACADIA WOODS PARTNERS, LLC 2016-01-07 US disclosed
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP (US) 2015-06-25 US disclosed
US-20120208203-A1 COMPOSITIONS AND METHODS FOR MODULATING C-REL-DEPENDENT CYTOKINE PRODUCTION SYNTA PHARMACEUTICALS CORP. (US) 2012-08-16 US 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
EP-1682682-A2 COMPOSITIONS AND METHODS FOR MODULATING C-REL-DEPENDENT CYTOKINE PRODUCTION Synta Pharmaceuticals Corporation (US) 2006-07-26 EP disclosed
US-20050282232-A1 Compositions and methods for modulating c-Rel-dependent cytokine production SYNTA PHARMACEUTICALS CORP. 2005-12-22 US disclosed
US-20050282809-A1 Heteroaryl-hydrazone compounds LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2005-12-22 US disclosed
WO-2005046619-A2 COMPOSITIONS AND METHODS FOR MODULATING C-REL-DEPENDENT CYTOKINE PRODUCTION SYNTA PHARMACEUTICALS, CORP. (US) 2005-05-26 WO 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 (3 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-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 TYK2 2464/4885SYK 737/4885IRAK4 660/4885
US-20050282809-A1 Heteroaryl-hydrazone compounds MMP12, IL1RN, CASP12 TYK2 3469/4885SYK 3362/4885IRAK4 639/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 TYK2 2464/4885SYK 737/4885IRAK4 660/4885

“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.