SCHEMBL375979

SCHEMBL375979

CC(C)c1cc(-c2ccc(F)c3ccccc23)nc(N)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 1/20 1.00
HTR2B P41595 1/20 1.00
GPR65 Q8IYL9 1/20 1.00
AURKA O14965 1/20 0.44
PDPK1 O15530 1/20 0.44
TGFBR1 P36897 1/20 0.44
AURKB Q96GD4 1/20 0.44
CDK1 P06493 1/20 0.42
CDK2 P24941 1/20 0.42
HSP90AA1 P07900 6/20 0.38
HSP90AB1 P08238 4/20 0.38
FEN1 P39748 4/20 0.37
ALOX5AP P20292 3/20 0.37
ADORA2A P29274 2/20 0.36
MAPK14 Q16539 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
ADORA1 P30542 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL29391421 1.00 HTR1B (1.00) HTR1BHTR2BGPR65AURKAPDPK1
SCHEMBL29385708 1.00 HTR1B (1.00) HTR1BHTR2BGPR65AURKAPDPK1
Hydrochloric Acid SCHEMBL5746097 0.99 HTR1B (0.97) HTR1BHTR2BGPR65AURKAPDPK1
SCHEMBL8469545 0.99 HTR1B (0.97) HTR1BHTR2BGPR65AURKAPDPK1
SCHEMBL5749142 0.91 HTR1B (0.84) HTR1BHTR2BGPR65AURKAPDPK1
Fumaric Acid SCHEMBL5773986 0.89 HTR1B (0.80) HTR1BHTR2BGPR65AURKAPDPK1
Maleic Acid SCHEMBL5773984 0.89 HTR1B (0.80) HTR1BHTR2BGPR65AURKAPDPK1
SCHEMBL5749044 0.88 HTR1B (0.78) HTR1BHTR2BGPR65AURKAPDPK1
SCHEMBL5749623 0.88 HTR1B (0.78) HTR1BHTR2BGPR65AURKAPDPK1
Hydrochloric Acid SCHEMBL5748497 0.85 HTR1B (0.74) HTR1BHTR2BGPR65AURKAPDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0901474-B1 ARYL PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-04-19 EP claimed
JP-2004500333-A 2004-01-08 JP claimed
EP-1200093-B1 USE OF 2-AMINO-4-(4-FLUORONAPHTH-1-YL)-6-ISOPROPYLPYRIMIDINE IN THE TREATMENT OF GI DISORDERS PHARMAGENE LAB LTD (GB) 2003-09-24 EP claimed
EP-1321169-A1 Combination of a serotonin receptor antagonist with a histidine decarboxylase inhibitor as a medicament Biofrontera Pharmaceuticals AG (DE) 2003-06-25 EP claimed
CN-1109675-C Aryl pyrimidine derivatives HOFFMANN LA ROCHE (CH) 2003-05-28 CN claimed
EP-1200093-A2 USE OF 2-AMINO-4-(4-FLUORONAPHTH-1-YL)-6-ISOPROPYLPYRIMIDINE IN THE TREATMENT OF GI DISORDERS Pharmagene Laboratories Ltd (GB) 2002-05-02 EP claimed
WO-2001008668-A2 USE OF 2-AMINO-4-(4-FLUORONAPHTH-1-YL)-6-ISOPROPYLPYRIMIDINE IN THE TREATMENT OF GI DISORDERS PHARMAGENE LABORATORIES LTD (GB) 2001-02-08 WO claimed
US-5952331-A SELECTIVE 5HT2B ANTAGONISTS; SEROTONIN RECEPTOR ANTAGONIST; TREATING DISORDERS OF THE GASTROINTESTINAL TRACK, RESTENOSIS, ASTHMA AND OBSTRUCTIVE AIRWAY DISEASE, PROSTATIC HYPERPLASIA, GENERALIZED ANXIETY, PANIC DISORDER SYNTEX (USA) INC. (US) 1999-09-14 US claimed
CN-1223641-A Aryl pyrimidine derivatives HOFFMANN LA ROCHE (CH) 1999-07-21 CN claimed
EP-0901474-A1 ARYL PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-03-17 EP claimed
US-5863924-A Aryl pyrimidine derivatives SYNTEX (U.S.A.) INC. (US) 1999-01-26 US claimed
WO-1997044326-A1 ARYL PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1997-11-27 WO claimed
US-20240245693-A1 COMPOSITIONS AND METHODS OF TISSUE REGENERATION THERAPY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-07-25 US disclosed
EP-4340940-A1 COMPOSITIONS AND METHODS OF TISSUE REGENERATION THERAPY The Regents of University of California (US) 2024-03-27 EP disclosed
US-20220370381-A1 COMPOSITIONS AND METHODS FOR TREATING SEIZURE DISORDERS ZOGENIX INTERNATIONAL LIMITED (GB) 2022-11-24 US disclosed
US-20220193082-A1 COMBINATION TREATMENT OF SPECIFIC FORMS OF EPILEPSY ZOGENIX INTERNATIONAL LIMITED (GB) 2022-06-23 US disclosed
CN-1223641-A Aryl pyrimidine derivatives HOFFMANN LA ROCHE (CH) 1999-07-21 CN disclosed
EP-0901474-A1 ARYL PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-03-17 EP disclosed
US-5863924-A Aryl pyrimidine derivatives SYNTEX (U.S.A.) INC. (US) 1999-01-26 US disclosed
WO-1997044326-A1 ARYL PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1997-11-27 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 (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-20220193082-A1 COMBINATION TREATMENT OF SPECIFIC FORMS OF EPILEPSY HTR2B, HTR3B, HTR5A HTR1B 4/4885HTR2B 1/4885GPR65 323/4885
US-20220370381-A1 COMPOSITIONS AND METHODS FOR TREATING SEIZURE DISORDERS PSEN2, EPM2A, TPH2 HTR1B 33/4885HTR2B 53/4885GPR65 1483/4885
US-20240245693-A1 COMPOSITIONS AND METHODS OF TISSUE REGENERATION THERAPY ADORA2B, ADORA2A, ANXA3 HTR1B 873/4885HTR2B 276/4885GPR65 4552/4885

“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.