SCHEMBL7269046

SCHEMBL7269046

CC(c1ccccn1)C(O)(Cn1cncn1)c1ccc(F)cc1F

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 17/20 0.68
CYP2C9 P11712 10/20 0.68
CYP2C19 P33261 10/20 0.68
LMNA P02545 2/20 0.68
CYP2B6 P20813 1/20 0.68
CYP3A5 P20815 1/20 0.68
CYP3A7 P24462 1/20 0.68
MAPK1 P28482 1/20 0.68
CYP3A43 Q9HB55 1/20 0.68
CYP46A1 Q9Y6A2 1/20 0.68
CYP1A2 P05177 6/20 0.59
CYP2D6 P10635 6/20 0.59
KCNH2 Q12809 3/20 0.59
HSP90AA1 P07900 1/20 0.57
CYP19A1 P11511 1/20 0.57
CYP11B1 P15538 1/20 0.57
CYP11B2 P19099 1/20 0.57
ADRA1A P35348 1/20 0.57
CYP51A1 Q16850 1/20 0.57
ABCG2 Q9UNQ0 1/20 0.46

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
SCHEMBL7260480 1.00 CYP3A4 (0.68) CYP3A4CYP2C9CYP2C19LMNACYP2B6
SCHEMBL30410184 0.89 CYP3A4 (0.72) CYP3A4CYP2C9CYP2C19LMNACYP2B6
SCHEMBL7276187 0.89 CYP3A4 (0.72) CYP3A4CYP2C9CYP2C19LMNACYP2B6
SCHEMBL29445565 0.89 CYP3A4 (0.72) CYP3A4CYP2C9CYP2C19LMNACYP2B6
SCHEMBL6958718 0.89 CYP3A4 (0.72) CYP3A4CYP2C9CYP2C19LMNACYP2B6
SCHEMBL4946439 0.89 CYP3A4 (0.72) CYP3A4CYP2C9CYP2C19LMNACYP2B6
SCHEMBL7267960 0.89 CYP3A4 (0.71) CYP3A4CYP2C9CYP2C19LMNACYP2B6
SCHEMBL7268653 0.88 CYP3A4 (0.71) CYP3A4CYP2C9CYP2C19LMNACYP2B6
SCHEMBL7277239 0.87 CYP3A4 (0.64) CYP3A4CYP2C9CYP2C19LMNACYP2B6
SCHEMBL14012889 0.86 CYP3A4 (0.77) CYP3A4CYP2C9CYP2C19LMNACYP2B6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0357241-B1 Triazole antifungal agents PFIZER LTD (GB) 1994-02-16 EP claimed
US-5116844-A TRIAZOLE ANTIFUNGAL AGENTS PFIZER INC. (US) 1992-05-26 US claimed
EP-0357241-A1 Triazole antifungal agents Pfizer Limited (GB) 1990-03-07 EP claimed
JP-2104583-A None JP disclosed
JP-7173154-A None JP disclosed
US-20220110920-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT AND PREVENTION OF NEUROLOGICAL DISORDERS Kineta, Inc. 2022-04-14 US disclosed
US-11241417-B2 Compositions and methods for the treatment and prevention of neurological disorders YUMANITY THERAPEUTICS, INC. (US) 2022-02-08 US disclosed
CN-112805381-A Compositions and methods for treating and preventing neurological disorders 优曼尼蒂治疗公司 2021-05-14 CN disclosed
EP-3810777-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT AND PREVENTION OF NEUROLOGICAL DISORDERS Yumanity Therapeutics, Inc. (US) 2021-04-28 EP disclosed
JP-H07173154-A INTERMEDIATE FOR SYNTHESIZING TRIAZOLE COMPOUND PFIZER INC 1995-07-11 JP disclosed
US-5364938-A Triazole antifungal agents PFIZER INC. (US) 1994-11-15 US disclosed
EP-0357241-B1 Triazole antifungal agents PFIZER LTD (GB) 1994-02-16 EP disclosed
US-5206364-A Triazole antifungal agents PFIZER INC. (US) 1993-04-27 US disclosed
US-5116844-A TRIAZOLE ANTIFUNGAL AGENTS PFIZER INC. (US) 1992-05-26 US disclosed
JP-H02104583-A TRIAZOLE ANTIMYCOTIC AGENT PFIZER INC 1990-04-17 JP disclosed
EP-0357241-A1 Triazole antifungal agents Pfizer Limited (GB) 1990-03-07 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 (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-11241417-B2 Compositions and methods for the treatment and prevention of neurological disorders TARDBP, CYP51A1, TDP1 CYP3A4 568/4885CYP2C9 943/4885CYP2C19 987/4885
US-20220110920-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT AND PREVENTION OF NEUROLOGICAL DISORDERS TARDBP, CYP51A1, TDP1 CYP3A4 568/4885CYP2C9 943/4885CYP2C19 987/4885

“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.