SCHEMBL10474259

SCHEMBL10474259

Cc1c(N)c(C#N)cc(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KHK P50053 1/20 0.42
TRPV4 Q9HBA0 2/20 0.39
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
EGLN2 Q96KS0 3/20 0.34
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
CYP11B1 P15538 4/20 0.33
CYP11B2 P19099 4/20 0.33
XDH P47989 1/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NOTUM Q6P988 1/20 0.31
TSHR P16473 1/20 0.30
AR P10275 1/20 0.30

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
SCHEMBL17687703 0.84 KHK (0.42) KHKTRPV4ADRB2ADRB1EGLN2
SCHEMBL2419004 0.81 KHK (0.46) KHKTRPV4ADRB2ADRB1CYP11B1
SCHEMBL289992 0.81 TRPV4 (0.43) KHKTRPV4EGLN2ESR1ESR2
SCHEMBL10474330 0.78 KHK (0.43) KHKTRPV4ESR1ESR2CYP11B1
SCHEMBL25436881 0.77 TRPV4 (0.43) KHKTRPV4EGLN2ESR1ESR2
SCHEMBL30493379 0.77 TRPV4 (0.43) KHKTRPV4EGLN2ESR1ESR2
SCHEMBL19780236 0.76 ESR1 (0.40) KHKTRPV4ESR1ESR2CYP11B1
SCHEMBL23948129 0.76 EGLN2 (0.37) KHKTRPV4ADRB2ADRB1EGLN2
SCHEMBL26697124 0.76 KHK (0.42) KHKTRPV4ADRB2ADRB1CYP11B1
SCHEMBL22096848 0.76 KHK (0.39) KHKTRPV4ADRB2ADRB1CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210171492-A1 SOMATOSTATIN MODULATORS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2021-06-10 US disclosed
WO-2021076448-A1 SOMATOSTATIN MODULATORS FOR TREATING PITUITARY ADENOMAS Crinetics Pharmaceuticals, Inc. (US) 2021-04-22 WO disclosed
US-9896432-B2 Somatostatin modulators and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2018-02-20 US disclosed
WO-2018013676-A1 SOMATOSTATIN MODULATORS AND USES THEREOF Crinetics Pharmaceuticals, Inc. (US) 2018-01-18 WO disclosed
US-20180016252-A1 SOMATOSTATIN MODULATORS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2018-01-18 US disclosed
US-4935420-A MICROBIOCIDES, ANTISEPTICS OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) 1990-06-19 US disclosed
US-4880806-A BACTERICIDES OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1989-11-14 US disclosed
US-4874764-A ANTIMICROBIALS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1989-10-17 US disclosed
US-4855292-A ANTIMICROBIAL AGENTS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1989-08-08 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-20180016252-A1 SOMATOSTATIN MODULATORS AND USES THEREOF SSTR5, SSTR2, SSTR4 KHK 2768/4885TRPV4 1233/4885ADRB2 264/4885
US-20210171492-A1 SOMATOSTATIN MODULATORS AND USES THEREOF SSTR5, SSTR2, SSTR4 KHK 2768/4885TRPV4 1233/4885ADRB2 264/4885

“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.