SCHEMBL26415549

SCHEMBL26415549

Cc1cc(-c2cncnc2)cc(-c2cnccn2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.40
CYP2D6 P10635 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
DHODH Q02127 1/20 0.37
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PI4KA P42356 1/20 0.37
PIK3CG P48736 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
CYP1A2 P05177 1/20 0.36
PIM1 P11309 4/20 0.36
CYP3A4 P08684 1/20 0.34
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33
KDR P35968 1/20 0.33
PIM2 Q9P1W9 2/20 0.33
CHEK1 O14757 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
SCHEMBL8617736 0.85 CYP2D6 (0.43) CYP2A6CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL20328926 0.81 ATM (0.44) CYP2A6CYP19A1PIM1KDRADK
SCHEMBL21559892 0.79 CYP2A6 (0.44) CYP2A6CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL13097147 0.78 CYP2A6 (0.44) CYP2A6CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL2406986 0.77 CYP2D6 (0.41) CYP2A6CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL26427755 0.77 ATM (0.44) CYP2A6CYP19A1PIM1KDRALDH1A1
SCHEMBL27878098 0.75 CYP2D6 (0.36) CYP2A6CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL28600646 0.75 RXRA (0.40) CYP2A6CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL18471236 0.72 CYP1A2 (0.44) CYP2A6CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL4582651 0.71 CYP2A6 (0.54) CYP2A6CYP3A4PIM2GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230129102-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-04-27 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-20230129102-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE C1S, CYBA, C1R CYP2A6 1157/4885CYP2D6 679/4885CYP19A1 654/4885

“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.