SCHEMBL14926944

SCHEMBL14926944

[N-]=[N+]=N[C@H]1C[C@H](OCc2ccccc2)C[C@H]1N=[N+]=[N-]

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 4/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSK P43235 1/20 0.43
OPRM1 P35372 2/20 0.39
OPRL1 P41146 2/20 0.39
DPP4 P27487 1/20 0.39
SIGMAR1 Q99720 2/20 0.38
TMEM97 Q5BJF2 1/20 0.38
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
PRMT8 Q9NR22 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
PDPK1 O15530 1/20 0.37
MTOR P42345 1/20 0.37
TSHR P16473 1/20 0.35
AGTR2 P50052 2/20 0.34
EPHX2 P34913 1/20 0.34

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
SCHEMBL13696045 1.00 NAAA (0.43) NAAACTSLCTSBCTSKOPRM1
SCHEMBL21032784 1.00 NAAA (0.43) NAAACTSLCTSBCTSKOPRM1
SCHEMBL18605404 0.90 NAAA (0.39) NAAACTSLCTSBCTSKOPRM1
SCHEMBL18603178 0.90 NAAA (0.39) NAAACTSLCTSBCTSKOPRM1
SCHEMBL16552461 0.90 NAAA (0.39) NAAACTSLCTSBCTSKOPRM1
SCHEMBL27891732 0.90 NAAA (0.39) NAAACTSLCTSBCTSKOPRM1
SCHEMBL18555828 0.90 NAAA (0.39) NAAACTSLCTSBCTSKOPRM1
SCHEMBL14926942 0.90 NAAA (0.39) NAAACTSLCTSBCTSKOPRM1
SCHEMBL20721980 0.87 NAAA (0.50) NAAACTSLCTSBCTSKOPRM1
SCHEMBL18582001 0.82 ALDH1A1 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295171-A1 FUSED HETEROAROMATIC PYRROLIDINONES WELLS THERAPEUTICS, INC. 2023-09-21 US disclosed
US-20180141951-A1 FUSED HETEROAROMATIC PYRROLIDINONES CALITHERA BIOSCIENCES, INC. 2018-05-24 US disclosed
US-20150336964-A1 FUSED HETEROAROMATIC PYRROLIDINONES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-11-26 US disclosed
US-20150336964-A1 FUSED HETEROAROMATIC PYRROLIDINONES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-11-26 US disclosed
US-9181255-B2 Fused heteroaromatic pyrrolidinones as SYK inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-11-10 US disclosed
US-9181255-B2 Fused heteroaromatic pyrrolidinones as SYK inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-11-10 US disclosed
US-9108970-B2 Fused heteroaromatic pyrrolidinones TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-08-18 US disclosed
EP-2516434-B1 FUSED HETEROAROMATIC PYRROLIDINONES AS SYK INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2015-05-27 EP disclosed
US-20130245031-A1 FUSED HETEROAROMATIC PYRROLIDINONES TAKEDA PHAMACEUTICAL COMPANY LIMITED (JP) 2013-09-19 US disclosed
US-8440689-B2 Fused heteroaromatic pyrrolidinones TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-14 US disclosed
US-8440689-B2 Fused heteroaromatic pyrrolidinones TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-14 US disclosed
US-20130116260-A1 FUSED HETEROAROMATIC PYRROLIDINONES AS SYK INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-09 US disclosed
US-20130116260-A1 FUSED HETEROAROMATIC PYRROLIDINONES AS SYK INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-09 US disclosed
WO-2011079051-A1 FUSED HETEROAROMATIC PYRROLIDINONES AS SYK INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-30 WO disclosed
US-20110152273-A1 FUSED HETEROAROMATIC PYRROLIDINONES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-23 US disclosed
US-20110152273-A1 FUSED HETEROAROMATIC PYRROLIDINONES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-23 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 (6 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-20180141951-A1 FUSED HETEROAROMATIC PYRROLIDINONES SYK, ZAP70, LYN NAAA 4827/4885CTSL 2899/4885CTSB 2515/4885
US-20130116260-A1 FUSED HETEROAROMATIC PYRROLIDINONES AS SYK INHIBITORS SYK, BTK, LYN NAAA 4802/4885CTSL 2971/4885CTSB 2417/4885
US-20130245031-A1 FUSED HETEROAROMATIC PYRROLIDINONES SYK, ZAP70, LYN NAAA 4827/4885CTSL 2899/4885CTSB 2515/4885
US-20110152273-A1 FUSED HETEROAROMATIC PYRROLIDINONES SYK, ZAP70, LYN NAAA 4827/4885CTSL 2899/4885CTSB 2515/4885
US-20150336964-A1 FUSED HETEROAROMATIC PYRROLIDINONES SYK, ZAP70, LYN NAAA 4827/4885CTSL 2899/4885CTSB 2515/4885
US-20230295171-A1 FUSED HETEROAROMATIC PYRROLIDINONES SYK, ZAP70, LYN NAAA 4827/4885CTSL 2899/4885CTSB 2515/4885

“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.