Sugi Predict

Sugi Predict / Compounds / SCHEMBL437358

SCHEMBL437358

SCHEMBL437358

CCOc1ccc(C#N)cc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 1/20 0.54
▸ S1PR1 P21453 1/20 0.52
▸ MRGPRX4 Q96LA9 1/20 0.51
▸ AR P10275 3/20 0.44
▸ PDE4A P27815 2/20 0.43
▸ PDE4B Q07343 2/20 0.43
▸ PDE4C Q08493 2/20 0.43
▸ PDE4D Q08499 2/20 0.43
▸ SSTR4 P31391 1/20 0.43
▸ ESR1 P03372 1/20 0.43
▸ DRD4 P21917 1/20 0.41
▸ TAS1R3 Q7RTX0 1/20 0.41
▸ TAS1R1 Q7RTX1 1/20 0.41
▸ GRM5 P41594 1/20 0.41
▸ PDE5A O76074 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ PRNP P04156 1/20 0.40

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
SCHEMBL5418640 0.87 TRPV4 (0.59) TRPV4S1PR1MRGPRX4ARDRD4
SCHEMBL1402437 0.85 TRPV4 (0.61) TRPV4S1PR1ARPDE4APDE4B
SCHEMBL25801732 0.84 MRGPRX4 (0.48) TRPV4S1PR1MRGPRX4ARSSTR4
SCHEMBL25196562 0.84 MRGPRX4 (0.50) TRPV4S1PR1MRGPRX4ARSSTR4
SCHEMBL31151408 0.82 MRGPRX4 (0.49) TRPV4S1PR1MRGPRX4ARSSTR4
SCHEMBL19430793 0.82 ALDH1A1 (0.51) S1PR1MRGPRX4ESR1ALDH1A1HPGD
SCHEMBL19473011 0.82 ALDH1A1 (0.51) S1PR1MRGPRX4ESR1ALDH1A1HPGD
SCHEMBL28787121 0.81 ESR1 (0.43) TRPV4S1PR1MRGPRX4PDE4APDE4B
SCHEMBL16957227 0.81 TAS1R3 (0.44) TRPV4S1PR1MRGPRX4PDE4APDE4B
SCHEMBL25212014 0.81 MRGPRX4 (0.48) TRPV4S1PR1MRGPRX4ARSSTR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3670514-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS Genentech, Inc. (US) 2020-06-24 — — EP disclosed
WO-2019217957-A1 QUINOLINE COMPOUNDS AND THEIR PREPARATION AND USE AS ANTIMALARIAL AGENTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2019-11-14 — — WO disclosed
EP-3333169-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS Genentech, Inc. (US) 2018-06-13 — — EP disclosed
WO-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 — — WO disclosed
US-20170355727-A1 CONJUGATED ANTISENSE COMPOUNDS AND THEIR USE IONIS PHARMACEUTICALS, INC. (US) 2017-12-14 — — US disclosed
US-20170283424-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2017-10-05 — — US disclosed
US-9206173-B2 Heterocyclic compounds for the treatment of stress-related conditions OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-08 — — US disclosed
US-9206173-B2 Heterocyclic compounds for the treatment of stress-related conditions OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-08 — — US disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 — — EP disclosed
US-20150152117-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2015-06-04 — — US disclosed
US-8999998-B2 Pyrazolopyrimidine JAK inhibitor compounds and methods GENENTECH, INC. (US) 2015-04-07 — — US disclosed
US-20120190665-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2012-07-26 — — US disclosed
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF ASTELLAS PHARMA INC. (JP) 2012-07-12 — — US disclosed
US-8193378-B2 2H-chromene compound and derivative thereof ASTELLAS PHARMA INC. (JP) 2012-06-05 — — US disclosed
US-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-03-15 — — US disclosed
US-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-03-15 — — US disclosed
US-20110230463-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF ASTELLAS PHARMA INC. (JP) 2011-09-22 — — 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 (7 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-20120190665-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 TRPV4 3662/4885S1PR1 2601/4885MRGPRX4 1119/4885
US-20110230463-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, CCR1 TRPV4 309/4885S1PR1 1/4885MRGPRX4 319/4885
US-20150152117-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 TRPV4 3662/4885S1PR1 2601/4885MRGPRX4 1119/4885
US-20170283424-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 TRPV4 3662/4885S1PR1 2601/4885MRGPRX4 1119/4885
US-20170355727-A1 CONJUGATED ANTISENSE COMPOUNDS AND THEIR USE GNE, GALNT1, GALNT6 TRPV4 4152/4885S1PR1 2473/4885MRGPRX4 2491/4885
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, S1PR4 TRPV4 308/4885S1PR1 1/4885MRGPRX4 205/4885
US-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS NR3C1, NR3C2, CRH TRPV4 2085/4885S1PR1 624/4885MRGPRX4 386/4885

“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.