SCHEMBL5168262

SCHEMBL5168262

CC(=CC#N)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.49
PDE4B Q07343 4/20 0.49
PDE4C Q08493 4/20 0.49
PDE4D Q08499 4/20 0.49
GABRA1 P14867 3/20 0.43
GABRG2 P18507 3/20 0.43
GABRB3 P28472 3/20 0.43
GABRB2 P47870 2/20 0.43
GABRB1 P18505 1/20 0.43
KDM1A O60341 1/20 0.41
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
MAPK1 P28482 2/20 0.36
RAB9A P51151 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL31599571 1.00 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DGABRA1
SCHEMBL8548467 1.00 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DGABRA1
SCHEMBL11753040 0.88 SMN1; SMN2 (0.48) PDE4APDE4BPDE4CPDE4DGABRA1
SCHEMBL625933 0.80 GABRA1 (0.53) PDE4APDE4BPDE4CPDE4DGABRA1
SCHEMBL625934 0.80 GABRA1 (0.53) PDE4APDE4BPDE4CPDE4DGABRA1
SCHEMBL9644205 0.80 GABRA1 (0.42) PDE4APDE4BPDE4CPDE4DGABRA1
SCHEMBL9645499 0.80 GABRA1 (0.42) PDE4APDE4BPDE4CPDE4DGABRA1
SCHEMBL625935 0.80 GABRA1 (0.53) PDE4APDE4BPDE4CPDE4DGABRA1
SCHEMBL25342763 0.78 GABRA1 (0.58) PDE4APDE4BPDE4CPDE4DGABRA1
SCHEMBL11761840 0.78 GABRA1 (0.58) PDE4APDE4BPDE4CPDE4DGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12404253-B2 2,4,6-trisubstituted 1,3,5-triazines as modulators of CX3CR1 ASTRAZENECA AB (SE) 2025-09-02 US disclosed
EP-4605388-A1 <SUP2/>? <SUB2/>?3?2,4,6-TRISUBSTITUTED 1,3,5-TRIAZINES AS MODULATORS OF CXCR1 Astrazeneca AB (SE) 2025-08-27 EP disclosed
US-20240383866-A1 2,4,6-TRISUBSTITUTED 1,3,5-TRIAZINES AS MODULATORS OF CX3CR1 ASTRAZENECA AB (SE) 2024-11-21 US disclosed
US-20240199558-A1 2,4,6-TRISUBSTITUTED 1,3,5-TRIAZINES AS MODULATORS OF CX3CR1 ASTRAZENECA AB (SE) 2024-06-20 US disclosed
WO-2024083933-A1 2,4,6-TRISUBSTITUTED 1,3,5-TRIAZINES AS MODULATORS OF CX 3CR1 ASTRAZENECA AB (SE) 2024-04-25 WO disclosed
US-11013700-B2 Compounds and methods of treating ocular disorders CASE WESTERN RESERVE UNIVERSITY (US) 2021-05-25 US disclosed
US-20200129453-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS UNIV CASE WESTERN RESERVE (US) 2020-04-30 US disclosed
US-10363231-B2 Compounds and methods of treating ocular disorders CASE WESTERN RESERVE UNIVERSITY (US) 2019-07-30 US disclosed
US-20170340581-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS UNIV CASE WESTERN RESERVE (US) 2017-11-30 US disclosed
US-20170340581-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS UNIV CASE WESTERN RESERVE (US) 2017-11-30 US disclosed
WO-1996012697-A9 CALCIUM RECEPTOR-ACTIVE COMPOUNDS NPS PHARMA INC (US) 2000-08-24 WO disclosed
EP-0702003-B1 Process for preparing 2-halogenpyridinaldehydes BAYER AG (DE) 1998-06-17 EP disclosed
US-5708180-A CYCLIZATION OF UNSATURATED NITRILE, AMIDE OR OXIME BAYER AKTIENGESELLSCHAFT (DE) 1998-01-13 US disclosed
EP-0787122-A2 CALCIUM RECEPTOR-ACTIVE COMPOUNDS NPS PHARMACEUTICALS, INC. (US) 1997-08-06 EP disclosed
WO-1996012697-A2 CALCIUM RECEPTOR-ACTIVE COMPOUNDS NPS PHARMACEUTICALS, INC. (US) 1996-05-02 WO disclosed
EP-0702003-A2 Process for preparing 2-halogenpyridinaldehydes and new 2-halogenpyridinaldehydes BAYER AG (DE) 1996-03-20 EP disclosed
US-4994569-A Cholecystokinin antagonists RHONE-POULENC SANTE (FR) 1991-02-19 US disclosed
EP-0020950-B1 PROCESS FOR THE PREPARATION OF ALPHA, BETA-UNSATURATED NITRILES FROM ALDEHYDES AND FORMAMIDE BASF Aktiengesellschaft (DE) 1982-05-12 EP disclosed
US-4315869-A Preparation of α,β-unsaturated nitriles BASF AKTIENGESELLSCHAFT (DE) 1982-02-16 US disclosed
EP-0020950-A1 Process for the preparation of alpha, beta-unsaturated nitriles from aldehydes and formamide BASF Aktiengesellschaft (DE) 1981-01-07 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 (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-20200129453-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS ALDH1A2, ADH1B, ADCYAP1R1 PDE4A 287/4885PDE4B 336/4885PDE4C 543/4885
US-20240199558-A1 2,4,6-TRISUBSTITUTED 1,3,5-TRIAZINES AS MODULATORS OF CX3CR1 CX3CR1, CCR2, CCR5 PDE4A 1668/4885PDE4B 1613/4885PDE4C 2069/4885
US-20170340581-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS ALDH1A2, ADH1B, ADCYAP1R1 PDE4A 253/4885PDE4B 297/4885PDE4C 477/4885
US-20240383866-A1 2,4,6-TRISUBSTITUTED 1,3,5-TRIAZINES AS MODULATORS OF CX3CR1 CX3CR1, CCR2, CCR5 PDE4A 1668/4885PDE4B 1613/4885PDE4C 2069/4885
US-12404253-B2 2,4,6-trisubstituted 1,3,5-triazines as modulators of CX3CR1 CX3CR1, CCR2, CCR5 PDE4A 1668/4885PDE4B 1613/4885PDE4C 2069/4885
US-10363231-B2 Compounds and methods of treating ocular disorders ALDH1A2, ADH1B, ADCYAP1R1 PDE4A 253/4885PDE4B 297/4885PDE4C 477/4885
US-11013700-B2 Compounds and methods of treating ocular disorders ALDH1A2, ADH1B, ADCYAP1R1 PDE4A 287/4885PDE4B 336/4885PDE4C 543/4885

“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.