SCHEMBL578230

SCHEMBL578230

CN(C)C1CCCCC1Nc1nc(=O)c2cc(F)ccc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KAT2B Q92831 9/20 0.40
▸ JAK2 O60674 5/20 0.40
▸ HCRTR1 O43613 3/20 0.39
▸ HCRTR2 O43614 2/20 0.38
▸ BRD3 Q15059 1/20 0.38
▸ SCN9A Q15858 1/20 0.36

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
SCHEMBL578231 1.00 KAT2B (0.40) KAT2BJAK2HCRTR1HCRTR2BRD3
SCHEMBL577842 0.91 HCRTR1 (0.41) KAT2BHCRTR1HCRTR2SCN9A
SCHEMBL577841 0.91 HCRTR1 (0.41) KAT2BHCRTR1HCRTR2SCN9A
SCHEMBL578122 0.84 KAT2B (0.51) KAT2B
SCHEMBL578123 0.84 KAT2B (0.51) KAT2B
SCHEMBL577720 0.78 KAT2B (0.45) KAT2BHCRTR1HCRTR2SCN9A
SCHEMBL578134 0.78 KAT2B (0.40) KAT2BHCRTR1HCRTR2SCN9A
SCHEMBL577721 0.78 KAT2B (0.45) KAT2BHCRTR1HCRTR2SCN9A
SCHEMBL578135 0.78 KAT2B (0.40) KAT2BHCRTR1HCRTR2SCN9A
SCHEMBL578109 0.72 NPC1 (0.52) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9073823-B2 Compound having hetero ring skeleton, and process for producing optically active compound using the aforementioned compound as asymmetric catalyst KYOTO UNIVERSITY (JP) 2015-07-07 — — US disclosed
US-8580804-B2 Compound having hetero ring skeleton, and process for producing optically active compound using the aforementioned compound as asymmetric catalyst KYOTO UNIVERSITY (JP) 2013-11-12 — — US disclosed
US-20130245257-A1 COMPOUND HAVING HETERO RING SKELETON, AND PROCESS FOR PRODUCING OPTICALLY ACTIVE COMPOUND USING THE AFOREMENTIONED COMPOUND AS ASYMMETRIC CATALYST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-09-19 — — US disclosed
EP-2418204-B1 COMPOUND HAVING HETERO RING SKELETON, AND PROCESS FOR PRODUCING OPTICALLY ACTIVE COMPOUND USING THE AFOREMENTIONED COMPOUND AS ASYMMETRIC CATALYST UNIV KYOTO (JP) 2013-07-24 — — EP disclosed
US-20120095227-A1 COMPOUND HAVING HETERO RING SKELETON, AND PROCESS FOR PRODUCING OPTICALLY ACTIVE COMPOUND USING THE AFOREMENTIONED COMPOUND AS ASYMMETRIC CATALYST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-04-19 — — US disclosed
EP-2418204-A1 COMPOUND HAVING HETERO RING SKELETON, AND PROCESS FOR PRODUCING OPTICALLY ACTIVE COMPOUND USING THE AFOREMENTIONED COMPOUND AS ASYMMETRIC CATALYST Kyoto University (JP) 2012-02-15 — — EP 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 (2 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-20130245257-A1 COMPOUND HAVING HETERO RING SKELETON, AND PROCESS FOR PRODUCING OPTICALLY ACTIVE COMPOUND USING THE AFOREMENTIONED COMPOUND AS ASYMMETRIC CATALYST COASY, LSS, INF2 KAT2B 768/4885JAK2 842/4885HCRTR1 3402/4885
US-20120095227-A1 COMPOUND HAVING HETERO RING SKELETON, AND PROCESS FOR PRODUCING OPTICALLY ACTIVE COMPOUND USING THE AFOREMENTIONED COMPOUND AS ASYMMETRIC CATALYST CCNL2, ASH2L, AHR KAT2B 948/4885JAK2 1627/4885HCRTR1 2286/4885

“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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