SCHEMBL956341

SCHEMBL956341

Cc1cccc(Br)c1CC#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
TSHR P16473 1/20 0.34
PRNP P04156 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
KDM4E B2RXH2 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
EGFR P00533 1/20 0.32
SRC P12931 1/20 0.32
CYP1A2 P05177 3/20 0.31
CYP1A1 P04798 1/20 0.31
CYP1B1 Q16678 1/20 0.31
CYP2A6 P11509 1/20 0.31
ENPP2 Q13822 1/20 0.31
CYP2C19 P33261 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
SCHEMBL30755316 1.00 ALDH1A1 (0.43) ALDH1A1TSHRPRNPMAOAMAOB
SCHEMBL954804 0.85 TSHR (0.41) ALDH1A1TSHRKDM4ETDP1MAPT
SCHEMBL8130103 0.85 KDM4E (0.38) ALDH1A1PRNPKDM4ETDP1HPGD
SCHEMBL29781218 0.80 ALDH1A1 (0.43) ALDH1A1MAOAMAOBCYP1A2CYP2A6
SCHEMBL8763095 0.78 ALDH1A1 (0.39) ALDH1A1TSHRKDM4ETDP1HPGD
SCHEMBL534442 0.76 EED (0.37) ALDH1A1KDM4ETDP1MAPTHPGD
SCHEMBL5764019 0.76 TAAR1 (0.38) ALDH1A1KDM4ETDP1EGFRSRC
SCHEMBL12490313 0.76 DYRK1A (0.41) ALDH1A1TSHRKDM4ETDP1HPGD
SCHEMBL11114860 0.76 TAAR1 (0.38) ALDH1A1TSHRKDM4EPOLBHPGD
SCHEMBL31454540 0.76 DYRK1A (0.33) KDM4ETDP1EGFRSRCCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260034123-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS INC (US) 2026-02-05 US disclosed
WO-2025096653-A1 COMPOSITIONS AND INHIBITORS OF POLRMT PRETZEL THERAPEUTICS, INC. (US) 2025-05-08 WO disclosed
WO-2025096660-A1 COMPOSITIONS AND INHIBITORS OF POLRMT PRETZEL THERAPEUTICS, INC. (US) 2025-05-08 WO disclosed
WO-2025096654-A1 COMPOSITIONS AND INHIBITORS OF POLRMT PRETZEL THERAPEUTICS, INC. (US) 2025-05-08 WO disclosed
WO-2025096662-A1 COMPOSITIONS AND INHIBITORS OF POLRMT PRETZEL THERAPEUTICS, INC. (US) 2025-05-08 WO disclosed
WO-2025096658-A1 COMPOSITIONS AND INHIBITORS OF POLRMT PRETZEL THERAPEUTICS, INC. (US) 2025-05-08 WO disclosed
WO-2025096657-A1 COMPOSITIONS AND INHIBITORS OF POLRMT PRETZEL THERAPEUTICS, INC. (US) 2025-05-08 WO disclosed
WO-2024026483-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. (US) 2024-02-01 WO disclosed
WO-2024026483-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. (US) 2024-02-01 WO disclosed
US-7875645-B2 2-(2-cyclopropyl-benzyl)-4,5-dihydro-1H-imidazole; depression, anxiety disorders, bipolar disorder, attention deficit hyperactivity disorder, stress-related disorders, psychotic disorders such as schizophrenia, neurological diseases such as Parkinson's disease, neurodegenerative disorders HOFFMAN-LA ROCHE INC. (US) 2011-01-25 US disclosed
EP-1981497-A2 USE OF SUBSTITUTED 2-IMIDAZOLE OF IMIDAZOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-10-22 EP disclosed
US-20070197621-A1 Method for the treatment of CNS disorders with substituted 2-imidazoles or imidazole derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-08-23 US disclosed
WO-2007085557-A2 USE OF SUBSTITUTED 2-IMIDAZOLE OF IMIDAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-02 WO 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-20260034123-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CDK2, CDK1, CDK20 ALDH1A1 4103/4885TSHR 1091/4885PRNP 3713/4885
US-20070197621-A1 Method for the treatment of CNS disorders with substituted 2-imidazoles or imidazole derivatives GPR119, PER2, MTNR1B ALDH1A1 412/4885TSHR 222/4885PRNP 833/4885

“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.