SCHEMBL20795035

SCHEMBL20795035

N#CCc1nc(-c2cccc(F)c2)cs1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.57
MEN1 O00255 2/20 0.57
MAPT P10636 2/20 0.57
KMT2A Q03164 2/20 0.57
ALDH1A1 P00352 4/20 0.48
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
SCN9A Q15858 2/20 0.42
HPGD P15428 2/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CYP1A1 P04798 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP1B1 Q16678 2/20 0.40
RAB9A P51151 2/20 0.40
HTT P42858 1/20 0.40
GABRG2 P18507 1/20 0.39

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
SCHEMBL2224768 0.85 ALDH1A1 (0.44) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL5101259 0.83 CYP19A1 (0.51) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL17887333 0.83 HSD17B1 (0.57) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL17887342 0.83 ATP4A (0.49) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL17887305 0.82 CTSS (0.52) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL2224879 0.82 ALDH1A1 (0.53) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL2223579 0.82 LOXL2 (0.58) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL16217980 0.81 KDM4E (0.67) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL5107529 0.80 CYP19A1 (0.54) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL12775950 0.78 KDM4E (0.59) KDM4EMEN1MAPTKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3237385-B1 MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER US HEALTH (US) 2021-11-24 EP disclosed
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 KDM4E 245/4885MEN1 81/4885MAPT 4568/4885
US-10703746-B2 Mutant IDH1 inhibitors useful for treating cancer IDH1, IDH3B, IDH3A KDM4E 245/4885MEN1 81/4885MAPT 4568/4885

“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.