SCHEMBL3942869

SCHEMBL3942869

Cc1cccc(CC#N)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
HPGD P15428 2/20 0.38
MPO P05164 1/20 0.35
TSHR P16473 2/20 0.34
ACHE P22303 1/20 0.33
KDM4E B2RXH2 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
CASP3 P42574 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL3792645 0.79 ESR1 (0.41) ALDH1A1HPGDTSHRKDM4ETDP1
SCHEMBL837981 0.79 HPGD (0.40) ALDH1A1HPGDKDM4ETDP1TAAR1
SCHEMBL29893592 0.79 HPGD (0.40) ALDH1A1HPGDKDM4ETDP1TAAR1
SCHEMBL102904 0.79 ALDH1A1 (0.47) ALDH1A1HPGDTSHRACHEKDM4E
Water SCHEMBL28641184 0.79 ALDH1A1 (0.47) ALDH1A1HPGDTSHRACHEKDM4E
SCHEMBL31426960 0.79 ALDH1A1 (0.47) ALDH1A1HPGDTSHRACHEKDM4E
SCHEMBL16888337 0.78 ALDH1A1 (0.38) ALDH1A1HPGDTSHRKDM4ETDP1
SCHEMBL28380698 0.78 ALDH1A1 (0.45) ALDH1A1HPGDKDM4ETDP1KMT2A
SCHEMBL8763095 0.78 ALDH1A1 (0.39) ALDH1A1HPGDTSHRKDM4ETDP1
SCHEMBL27701765 0.78 ALDH1A1 (0.39) ALDH1A1HPGDKDM4ETDP1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4698524-A1 TRIARYL AGONISTS OF ALPHA-2 ADRENERGIC RECEPTORS Alceptor Therapeutics, Inc. (US) 2026-02-25 EP disclosed
US-20260042769-A1 TRIARYL AGONISTS OF ALPHA-2 ADRENERGIC RECEPTORS ALCEPTOR THERAPEUTICS INC (US) 2026-02-12 US disclosed
WO-2024220941-A1 TRIARYL AGONISTS OF ALPHA-2 ADRENERGIC RECEPTORS ALCEPTOR THERAPEUTICS, INC. (US) 2024-10-24 WO disclosed
US-20230225201-A1 Organic Light Emitting Diode and Device Comprising the Same NOVALED GMBH (DE) 2023-07-13 US disclosed
US-20090118261-A1 QUINAZOLINONE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS ASTRAZENECA AB (SE) 2009-05-07 US disclosed
EP-1831198-B1 PYRIDINE CARBOXAMIDE DERIVATIVES FOR USE AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2009-04-08 EP disclosed
US-20080306096-A1 Quinazoline Derivatives, Process for Their Preparation and Their Use as Anti-Cancer Agents ASTRAZENECA AB (SE) 2008-12-11 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 (3 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-20090118261-A1 QUINAZOLINONE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS BRAF, RAF1, ARAF ALDH1A1 629/4885HPGD 1530/4885MPO 1893/4885
US-20080306096-A1 Quinazoline Derivatives, Process for Their Preparation and Their Use as Anti-Cancer Agents BRAF, RAF1, NRAS ALDH1A1 1302/4885HPGD 2160/4885MPO 1870/4885
US-20260042769-A1 TRIARYL AGONISTS OF ALPHA-2 ADRENERGIC RECEPTORS ADRB2, ADRB1, ADRB3 ALDH1A1 1116/4885HPGD 893/4885MPO 3092/4885

“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.