SCHEMBL26014394

SCHEMBL26014394

CC(C)(C)c1cn(-c2ccc(F)cc2)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.38
PTK2 Q05397 1/20 0.35
CPB2 Q96IY4 2/20 0.34
CPB1 P15086 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP19A1 P11511 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PSEN1 P49768 2/20 0.33
PSEN2 P49810 2/20 0.33
APH1B Q8WW43 2/20 0.33
NCSTN Q92542 2/20 0.33
APH1A Q96BI3 2/20 0.33
PSENEN Q9NZ42 2/20 0.33
HSD11B1 P28845 1/20 0.33
KCNH2 Q12809 1/20 0.33
PTGS2 P35354 3/20 0.33
PRKCZ Q05513 1/20 0.33

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
SCHEMBL2630637 0.85 PTK2 (0.44) PTK2CPB2CPB1CYP1A2CYP3A4
SCHEMBL19625448 0.82 MAP4K4 (0.42) HPGDPTK2CPB2CPB1CYP1A2
SCHEMBL11954983 0.81 NPC1 (0.41) PTK2CPB2CPB1CYP3A4NPC1
SCHEMBL7138380 0.81 CYP1A2 (0.35) HPGDCPB2CPB1CYP1A2CYP3A4
SCHEMBL10183027 0.80 CYP2E1 (0.38) PTK2CPB2CPB1CYP1A2CYP3A4
SCHEMBL2173933 0.79 CPB2 (0.32) CPB2CPB1CYP1A2CYP3A4CYP2D6
SCHEMBL3953088 0.78 EP300 (0.46) CPB2CPB1CYP1A2CYP3A4CYP2D6
SCHEMBL18754697 0.76 CYP3A4 (0.56) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL8819363 0.75 PTGS2 (0.40) PTK2CYP1A2CYP3A4CYP2D6CYP19A1
SCHEMBL12443628 0.75 NPC1 (0.37) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230265107-A1 PB2 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2023-08-24 US disclosed
US-20230265107-A1 PB2 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2023-08-24 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 (1 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-20230265107-A1 PB2 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF CYP11B2, WEE2, CYP11B1 HPGD 1044/4885PTK2 1340/4885CPB2 378/4885

“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.