SCHEMBL25753316

SCHEMBL25753316

Cc1cc(-n2cccn2)cc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 11/20 0.41
MAPT P10636 2/20 0.41
NOTUM Q6P988 2/20 0.39
GRM5 P41594 1/20 0.39
CNR1 P21554 1/20 0.39
PDK2 Q15119 1/20 0.38
AR P10275 1/20 0.37
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
G6PD P11413 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
SCHEMBL26028856 0.85 MAPT (0.42) KAT6AMAPTNOTUMGRM5KMT2A
SCHEMBL14964128 0.82 MAPT (0.49) KAT6AMAPTNOTUMGRM5KMT2A
SCHEMBL873113 0.82 MAPT (0.53) KAT6AMAPTNOTUMGRM5KMT2A
SCHEMBL12012868 0.81 NR2E1 (0.46) MAPTNOTUMCNR1PDK2AR
SCHEMBL16787410 0.78 KAT6A (0.46) KAT6AMAPTNOTUMGRM5KMT2A
SCHEMBL11286034 0.77 NOTUM (0.64) MAPTNOTUMPDK2ALDH1A1LMNA
SCHEMBL25777245 0.77 EPHX2 (0.45) KAT6AMAPTNOTUMARKMT2A
SCHEMBL30402678 0.77 NOTUM (0.64) MAPTNOTUMPDK2ALDH1A1LMNA
SCHEMBL21030752 0.76 NR2E1 (0.36) KAT6AMAPTNOTUMCNR1AR
SCHEMBL21645117 0.75 KDM4E (0.44) MAPTNOTUMCNR1PDK2KMT2A

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-20230192661-A1 1, 4, 5, 6-TETRAHYDROPYRIMIDINE-2-AMINE DERIVATIVE UBE CORPORATION (JP) 2023-06-22 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-20230192661-A1 1, 4, 5, 6-TETRAHYDROPYRIMIDINE-2-AMINE DERIVATIVE DHFR, DPYD, CYP2D6 KAT6A 573/4885MAPT 3157/4885NOTUM 4230/4885

“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.