SCHEMBL31516632

SCHEMBL31516632

FC(F)(F)c1ccnc(-c2cccnc2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.56
CYP1A2 P05177 7/20 0.49
CYP3A4 P08684 6/20 0.49
CYP2D6 P10635 4/20 0.49
ALDH1A1 P00352 4/20 0.49
HSD17B10 Q99714 3/20 0.49
LMNA P02545 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
ALOX15 P16050 2/20 0.48
KDM4E B2RXH2 1/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
CYP2C19 P33261 3/20 0.48
CYP2C9 P11712 1/20 0.48
CLK4 Q9HAZ1 5/20 0.48
TSHR P16473 1/20 0.47

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
SCHEMBL2138274 0.82 HDAC4 (0.56) HSD17B10LMNAKDM4EMAPTKMT2A
SCHEMBL12279077 0.79 ALDH1A1 (0.47) CYP2A6CYP1A2CYP3A4CYP2D6ALDH1A1
SCHEMBL12410430 0.78 GRM4 (0.41) CYP2A6CYP3A4CYP2D6HTTCYP2C19
SCHEMBL5483622 0.78 SMN1; SMN2 (0.49) CYP2A6CYP1A2CYP3A4ALDH1A1HSD17B10
SCHEMBL22027763 0.75 HDAC4 (0.44) SYK
SCHEMBL30627140 0.75 CYP2A6 (0.57) CYP2A6CYP1A2CYP3A4ALDH1A1KDM4E
SCHEMBL22027762 0.74 SYK (0.45) SYK
SCHEMBL3567928 0.74 S1PR1 (0.56) CYP1A2CYP3A4CYP2D6ALDH1A1HSD17B10
SCHEMBL18905348 0.74 CYP2A6 (0.62) CYP2A6CYP1A2CYP3A4CYP2D6ALDH1A1
SCHEMBL22042719 0.74 SMN1; SMN2 (0.67) CYP2A6CYP1A2CYP3A4ALDH1A1HSD17B10

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-20250152590-A1 NURR1:RXR ACTIVATING COMPOUNDS FOR SIMULTANEOUS TREATMENT OF SYMPTOMS AND PATHOLOGY OF PARKINSON'S DISEASE VASSILATIS DEMETRIOS K (GR) 2025-05-15 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-20250152590-A1 NURR1:RXR ACTIVATING COMPOUNDS FOR SIMULTANEOUS TREATMENT OF SYMPTOMS AND PATHOLOGY OF PARKINSON'S DISEASE NR4A2, NR0B1, NCOR1 CYP2A6 903/4885CYP1A2 1222/4885CYP3A4 2127/4885

“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.