SCHEMBL20795396

SCHEMBL20795396

CCCOc1ncc(C)cc1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
CASP1 P29466 2/20 0.40
HTT P42858 2/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
CASP7 P55210 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
NOS3 P29474 2/20 0.39
NOS2 P35228 2/20 0.39
NOS1 P29475 1/20 0.39
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37

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
SCHEMBL17887313 0.85 NOS3 (0.42) MAPTALDH1A1KDM4ECASP1MEN1
SCHEMBL19172443 0.84 TSHR (0.40) MAPTALDH1A1CASP1NOS3NOS2
SCHEMBL20795952 0.80 MAPT (0.39) MAPTALDH1A1KDM4ECASP1HTT
SCHEMBL20795082 0.80 MAPT (0.39) MAPTALDH1A1KDM4ECASP1HTT
SCHEMBL25997039 0.80 HRH3 (0.43) ALDH1A1KDM4ENOS3NOS2NOS1
SCHEMBL12037985 0.78 SSTR4 (0.39) MAPTALDH1A1KDM4EHTTMEN1
SCHEMBL19819860 0.78 SLC13A5 (0.42) MAPTALDH1A1KDM4EMEN1POLB
SCHEMBL91467 0.76 MAPT (0.55) MAPTALDH1A1KDM4ECASP1HTT
SCHEMBL31652221 0.75 ALDH1A1 (0.34) MAPTALDH1A1KDM4EHTTMEN1
SCHEMBL19040340 0.75 ALDH1A1 (0.34) ALDH1A1KDM4EGAAKMT2ANPC1

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-10703746-B2 Mutant IDH1 inhibitors useful for treating cancer THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2020-07-07 US disclosed
US-20190071434-A1 MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER THE USA AS REPRESENTED BY THE SEC DEP OF HEALTH AND HUMAN SERVICES (US) 2019-03-07 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 (2 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-20190071434-A1 MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER IDH1, IDH3B, IDH3A MAPT 4568/4885ALDH1A1 417/4885KDM4E 245/4885
US-10703746-B2 Mutant IDH1 inhibitors useful for treating cancer IDH1, IDH3B, IDH3A MAPT 4568/4885ALDH1A1 417/4885KDM4E 245/4885

“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.