SCHEMBL25753702

SCHEMBL25753702

COC(=O)C[C@H](N)c1cc(C(F)(F)F)ccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
KDM4E B2RXH2 1/20 0.49
MCL1 Q07820 2/20 0.42
CFTR P13569 1/20 0.42
KMT2A Q03164 1/20 0.41
PDE2A O00408 1/20 0.41
CYP1A2 P05177 4/20 0.41
CYP2C19 P33261 4/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2C9 P11712 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MC4R P32245 3/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP2D6 P10635 2/20 0.40

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
SCHEMBL31750509 1.00 MAPT (0.49) MAPTKDM4EMCL1CFTRKMT2A
SCHEMBL31750472 0.88 MAPT (0.46) MAPTKDM4EKMT2APDE2ACYP1A2
SCHEMBL31751054 0.87 ALDH1A1 (0.43) MAPTKDM4EMCL1KMT2APDE2A
Hydrochloric Acid SCHEMBL31750686 0.86 ALDH1A1 (0.43) MAPTKDM4EMCL1KMT2APDE2A
SCHEMBL24036820 0.85 CFTR (0.43) MAPTKDM4ECFTRKMT2APDE2A
SCHEMBL31750382 0.83 ALDH1A1 (0.44) MCL1KMT2APDE2ACYP1A2CYP2C19
SCHEMBL25752841 0.82 MAPT (0.39) MAPTKDM4EKMT2ACYP1A2CYP3A4
SCHEMBL25625197 0.81 MAPT (0.44) MAPTKDM4EKMT2ACYP1A2CYP2C19
SCHEMBL14417347 0.79 CASP1 (0.44) MAPTKMT2ACYP2D6
SCHEMBL5769080 0.79 CASP1 (0.44) MAPTKMT2ACYP2D6

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 MAPT 3157/4885KDM4E 1887/4885MCL1 1573/4885

“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.