SCHEMBL4865443

SCHEMBL4865443

Fc1ccc(-c2c[nH]cn2)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.45
CYP2A6 P11509 3/20 0.42
CYP2B6 P20813 3/20 0.42
CYP2E1 P05181 1/20 0.42
JAK2 O60674 1/20 0.41
RET P07949 1/20 0.41
KDR P35968 1/20 0.41
GSK3A P49840 1/20 0.41
RPS6KA3 P51812 1/20 0.41
LIMK1 P53667 1/20 0.41
MAP2K1 Q02750 1/20 0.41
DYRK1A Q13627 1/20 0.41
MAPK14 Q16539 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
ALK Q9UM73 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
KDM5B Q9UGL1 1/20 0.37
SYK P43405 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
SCHEMBL29786259 1.00 MAPT (0.45) MAPTCYP2A6CYP2B6CYP2E1JAK2
SCHEMBL29786258 0.78 CYP19A1 (0.40) CHRNB2CHRNA4
SCHEMBL23124011 0.78 CYP19A1 (0.40) CHRNB2CHRNA4
SCHEMBL4868679 0.77 PIK3CD (0.46) CYP2A6CYP3A4CHRNB2CHRNB4CHRNA3
SCHEMBL4862787 0.77 HPGDS (0.44) MAPTMAPK14SYKCHRNB2CHRNB4
SCHEMBL20054187 0.77 AKT1 (0.30)
SCHEMBL30641497 0.77 TRPV4 (0.44) KDM5BPDE3BPDE3A
Hydrochloric Acid SCHEMBL15367017 0.76 HPGDS (0.43) MAPTMAPK14SYKCHRNB2CHRNB4
SCHEMBL26104326 0.73 CYP2A6 (0.64) MAPTCYP2A6CYP2B6CYP2E1JAK2
SCHEMBL23123510 0.73 KDM5B (0.40) KDRKDM5BSYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220411388-A1 SUBSTITUTED IMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL R&D INVEST S A (PT) 2022-12-29 US disclosed
EP-4031531-A1 SUBSTITUTED IMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS Bial-R&D Investments, S.A. (PT) 2022-07-27 EP disclosed
CN-114787135-A Substituted imidazole carboxamides and their use in the treatment of medical disorders 比亚尔R&D投资股份公司 2022-07-22 CN disclosed
WO-2021055612-A1 SUBSTITUTED IMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL-BioTech Investments, Inc. (US) 2021-03-25 WO disclosed
US-7332476-B2 Pyridyl substituted ketolide antibiotics NOVARTIS AG (CH) 2008-02-19 US disclosed
US-7332476-B2 Pyridyl substituted ketolide antibiotics NOVARTIS AG (CH) 2008-02-19 US disclosed
US-7163924-B2 Ketolide derivatives CHIRON CORPORATION (US) 2007-01-16 US disclosed
US-7163924-B2 Ketolide derivatives CHIRON CORPORATION (US) 2007-01-16 US disclosed
EP-1618120-A2 NOVEL KETOLIDE DERIVATIVES CHIRON CORPORATION (US) 2006-01-25 EP disclosed
EP-1618119-A2 PYRIDYL SUBSTITUTED KETOLIDE ANTIBIOTICS CHIRON CORPORATION (US) 2006-01-25 EP disclosed
US-20050153905-A1 Novel ketolide derivatives CHIRON CORPORATION (US) 2005-07-14 US disclosed
US-20050009764-A1 Pyridyl substituted ketolide antibiotics CHIRON CORPORATION (US) 2005-01-13 US disclosed
WO-2004096822-A2 PYRIDYL SUBSTITUTED KETOLIDE ANTIBIOTICS CHIRON CORPORATION (US) 2004-11-11 WO disclosed
WO-2004096823-A2 NOVEL KETOLIDE DERIVATIVES CHIRON CORPORATION (US) 2004-11-11 WO disclosed
US-6756359-B2 ADMINISTERING A 14 MEMBERED MACROLIDE AND KETOLIDE ANTIBIOTICS CONTAINING C12 MODIFICATIONS TO A PATIENT SUFFERING FROM BACTERIAL INFECTIONS CHIRON CORPORATION 2004-06-29 US disclosed
EP-1404693-A2 C12 MODIFIED ERYTHROMYCIN MACROLIDES AND KETOLIDES HAVING ANTIBACTERIAL ACTIVITY CHIRON CORPORATION (US) 2004-04-07 EP disclosed
US-20030125266-A1 C12 Modified erythromycin macrolides and ketolides having antibacterial activity CHU DANIEL (US) 2003-07-03 US disclosed
WO-2003004509-A2 C12 MODIFIED ERYTHROMYCIN MACROLIDES AND KETOLIDES HAVING ANTIBACTERIAL ACTIVITY CHIRON CORPORATION (US) 2003-01-16 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 (4 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-20050009764-A1 Pyridyl substituted ketolide antibiotics PKLR, KHK, PGD MAPT 3247/4885CYP2A6 57/4885CYP2B6 16/4885
US-20030125266-A1 C12 Modified erythromycin macrolides and ketolides having antibacterial activity MRPL21, CYP51A1, CEL MAPT 4688/4885CYP2A6 68/4885CYP2B6 35/4885
US-20050153905-A1 Novel ketolide derivatives KHK, CYP51A1, SI MAPT 2835/4885CYP2A6 110/4885CYP2B6 108/4885
US-20220411388-A1 SUBSTITUTED IMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS GBA1, GAA, CLN6 MAPT 217/4885CYP2A6 2757/4885CYP2B6 2150/4885

“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.