SCHEMBL15060786

SCHEMBL15060786

CCn1c(C=O)nc2cc(F)c(-c3ccc(F)cc3)cc21

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 6/20 0.40
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
CYP11B2 P19099 5/20 0.36
CYP11B1 P15538 4/20 0.36
MAPK14 Q16539 2/20 0.34
METAP2 P50579 1/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RPS6KA5 O75582 1/20 0.33

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
SCHEMBL15060784 0.85 PDE5A (0.37) ACSS2MAPK14KDM4EMEN1TSHR
SCHEMBL15060785 0.83 METAP2 (0.44) ACSS2CYP11B2CYP11B1MAPK14METAP2
SCHEMBL10642457 0.80 RPS6KA5 (0.49) CYP11B2CYP11B1KDM4EKMT2AMAPT
SCHEMBL12210495 0.75 KDM4E (0.38) HCRTR1HCRTR2MAPK14KDM4EKMT2A
SCHEMBL13273928 0.74 HSP90AA1 (0.37) MAPK14KDM4EMAPT
SCHEMBL15061690 0.73 PDE5A (0.35) MAPK14KDM4EMEN1KMT2AL3MBTL1
SCHEMBL18404505 0.72 POLB (0.35) MAPK14KDM4EMAPT
SCHEMBL2492548 0.72 HDAC8 (0.45) ACSS2HCRTR1HCRTR2
SCHEMBL7473048 0.71 KDM4E (0.50) KDM4EMEN1TSHRKMT2AMAPT
SCHEMBL15060824 0.71 F2 (0.39) ACSS2HCRTR1HCRTR2

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-20130303535-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND Sumitomo Pharma Co., Ltd. (JP) 2013-11-14 US disclosed
US-20130303535-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND Sumitomo Pharma Co., Ltd. (JP) 2013-11-14 US disclosed
US-8471038-B2 Bicyclic heterocyclic compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-06-25 US disclosed
US-8471038-B2 Bicyclic heterocyclic compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-06-25 US disclosed
US-20110294804-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-12-01 US disclosed
US-20110294804-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-12-01 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 (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-20110294804-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND OPRL1, SCN1B, OPRD1 ACSS2 2619/4885HCRTR1 34/4885HCRTR2 121/4885
US-20130303535-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND OPRL1, SCN1B, OPRD1 ACSS2 2619/4885HCRTR1 34/4885HCRTR2 121/4885

“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.