SCHEMBL317688

SCHEMBL317688

Cc1cc2cc(C#N)ccc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.56
CYP2A6 P11509 2/20 0.53
KEAP1 Q14145 1/20 0.53
IMPDH2 P12268 1/20 0.52
IMPDH1 P20839 1/20 0.52
AXL P30530 1/20 0.50
VCP P55072 1/20 0.45
DRD2 P14416 5/20 0.45
DRD4 P21917 5/20 0.45
DRD3 P35462 5/20 0.45
CSNK1A1 P48729 1/20 0.42
CSNK1D P48730 1/20 0.42
GSK3B P49841 1/20 0.42
CSNK1G2 P78368 1/20 0.42
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL12803403 0.87 CYP19A1 (0.51) CYP19A1CYP2A6KEAP1IMPDH2IMPDH1
SCHEMBL5728507 0.85 ITK (0.50) CYP19A1CYP2A6KEAP1IMPDH2IMPDH1
Tert-Butyl Formate SCHEMBL28263922 0.84 CYP19A1 (0.43) CYP19A1CYP2A6KEAP1IMPDH2IMPDH1
SCHEMBL18000358 0.81 CYP2A6 (0.53) CYP19A1CYP2A6KEAP1AXLALDH1A1
SCHEMBL13662153 0.80 IMPDH2 (0.51) CYP19A1IMPDH2IMPDH1DRD2DRD4
SCHEMBL22185219 0.79 BRD4 (0.54) CYP19A1IMPDH2IMPDH1CSNK1A1CSNK1D
SCHEMBL23928867 0.77 CYP19A1 (0.56) CYP19A1CYP2A6IMPDH2IMPDH1DRD2
SCHEMBL12778108 0.77 CYP19A1 (0.56) CYP19A1CYP2A6IMPDH2IMPDH1DRD2
SCHEMBL28863016 0.77 CYP19A1 (0.56) CYP19A1CYP2A6IMPDH2IMPDH1DRD2
SCHEMBL28984930 0.77 CYP19A1 (0.56) CYP19A1CYP2A6IMPDH2IMPDH1DRD2

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 124 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2024-07-11 US disclosed
US-11958873-B2 Proteasome activity enhancing compounds Kineta, Inc. (US) 2024-04-16 US disclosed
EP-4306166-A2 COMPOUNDS, COMPOSITIONS AND METHODS OF USE Aquinnah Pharmaceuticals Inc. (US) 2024-01-17 EP disclosed
US-20230312481-A1 SUBSTITUTED (PHTHALAZIN-1-YLMETHYL)UREAS, SUBSTITUTED N-(PHTHALAZIN-1-YLMETHYL)AMIDES, AND ANALOGUES THEREOF ARBUTUS BIOPHARMA CORP (CA) 2023-10-05 US disclosed
US-20230295115-A1 SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2023-09-21 US disclosed
EP-3557998-B1 COMPOUNS, COMPOSITIONS AND METHODS OF USE AQUINNAH PHARMACEUTICALS INC (US) 2023-08-16 EP disclosed
US-20230242557-A9 PROTEASOME ACTIVITY ENHANCING COMPOUNDS Kineta, Inc. 2023-08-03 US disclosed
US-20230242557-A9 PROTEASOME ACTIVITY ENHANCING COMPOUNDS Kineta, Inc. 2023-08-03 US disclosed
US-20230242557-A9 PROTEASOME ACTIVITY ENHANCING COMPOUNDS Kineta, Inc. 2023-08-03 US disclosed
US-20230122967-A1 NOVEL COMPOUNDS AS INHIBITORS OF PCSK9 SHENGKE PHARMACEUTICALS (JIANGSU) LTD. (CN) 2023-04-20 US disclosed
US-4159265-A Phenylazopyrazolo dyestuffs including disulfimide substituent BAYER AKTIENGESELLSCHAFT (DE) 1979-06-26 US disclosed
US-4101541-A DYES FOR POLYESTERS OR POLYPROPYLENE CIBA-GEIGY CORPORATION (US) 1978-07-18 US disclosed
US-4083847-A Transiently water-soluble disperse mono-azo dyes containing a diamino-methylene-carbacyl group CIBA-GEIGY CORPORATION (US) 1978-04-11 US disclosed
US-4028323-A WITH A SUBSTITUTED AMINOBENZENE CIBA-GEIGY AG (CH) 1977-06-07 US disclosed
US-4026931-A AZO DYES, FIBER-REACTIVE; INDOLE OR 5-AMINO-PYRAZOLE COUPLING COMPONENT BAYER AKTIENGESELLSCHAFT (DT) 1977-05-31 US disclosed
US-4022763-A Sulfaphenyl-azo-phenyl-azo-aminophenyl dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-05-10 US disclosed
US-3987026-A POLYESTERS CIBA-GEIGY CORPORATION (US) 1976-10-19 US disclosed
US-3964862-A Process for dyeing and printing textile materials of synthetic organic fibers CIBA-GEIGY AG (CH) 1976-06-22 US disclosed
US-3956267-A Indole-containing disazo dyestuffs having a sulfatoalkyleneoxy-substituent BAYER AKTIENGESELLSCHAFT (DT) 1976-05-11 US disclosed
US-3945991-A Heterocyclic azo compounds containing a quaternated hydrazide group CIBA-GEIGY AG (CH) 1976-03-23 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-20230242557-A9 PROTEASOME ACTIVITY ENHANCING COMPOUNDS PSMG3, PSMB1, PSMC1 CYP19A1 3346/4885CYP2A6 3799/4885KEAP1 66/4885
US-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME SLC10A1, NR1H4, SLC10A2 CYP19A1 503/4885CYP2A6 251/4885KEAP1 4113/4885
US-20230295115-A1 SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME HCCS, HAVCR2, HDGF CYP19A1 2283/4885CYP2A6 903/4885KEAP1 2382/4885
US-20230312481-A1 SUBSTITUTED (PHTHALAZIN-1-YLMETHYL)UREAS, SUBSTITUTED N-(PHTHALAZIN-1-YLMETHYL)AMIDES, AND ANALOGUES THEREOF NSD3, PML, NSD1 CYP19A1 3760/4885CYP2A6 2579/4885KEAP1 1700/4885
US-20230122967-A1 NOVEL COMPOUNDS AS INHIBITORS OF PCSK9 PCSK9, PCSK7, PCSK6 CYP19A1 1054/4885CYP2A6 1388/4885KEAP1 631/4885
US-11958873-B2 Proteasome activity enhancing compounds PSMG3, PSMB1, PSMC1 CYP19A1 3346/4885CYP2A6 3799/4885KEAP1 66/4885

“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.