SCHEMBL16540643

SCHEMBL16540643

CC(C)c1nc2ccccc2n1-c1cc(N)nc(Nc2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BMI1 P35226 14/20 0.55
KCNH3 Q9ULD8 1/20 0.44
PIK3CA P42336 1/20 0.39
MTOR P42345 1/20 0.39
IDH2 P48735 1/20 0.39
LCK P06239 2/20 0.38
LYN P07948 2/20 0.38
KDR P35968 2/20 0.38
INSR P06213 1/20 0.38
HCK P08631 1/20 0.38
SRC P12931 1/20 0.38
KCNH2 Q12809 1/20 0.38
SCN9A Q15858 1/20 0.38

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
SCHEMBL16540632 0.92 BMI1 (0.54) BMI1KCNH3PIK3CAMTORIDH2
SCHEMBL16540495 0.87 BMI1 (0.72) BMI1KCNH3PIK3CAMTORIDH2
Bromide SCHEMBL16541096 0.86 BMI1 (0.71) BMI1KCNH3PIK3CAMTORIDH2
Hydrochloric Acid SCHEMBL16540949 0.86 BMI1 (0.71) BMI1KCNH3PIK3CAMTORLCK
SCHEMBL17938207 0.84 BMI1 (0.58) BMI1PIK3CAMTORLCKLYN
SCHEMBL16540998 0.84 BMI1 (0.55) BMI1KCNH3PIK3CAMTORIDH2
SCHEMBL16540549 0.84 BMI1 (0.74) BMI1PIK3CAMTORLCKLYN
SCHEMBL15747673 0.82 BMI1 (0.55) BMI1KCNH3PIK3CAMTORLCK
SCHEMBL17938229 0.82 BMI1 (0.59) BMI1PIK3CAMTORKCNH2SCN9A
Sulfuric Acid SCHEMBL16540914 0.82 BMI1 (0.65) BMI1KCNH3PIK3CAMTORLCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3039015-B1 SUBSTITUTED PYRIMIDINE BMI-1 INHIBITORS PTC THERAPEUTICS INC (US) 2019-10-30 EP claimed
US-10370371-B2 Substituted pyrimidine Bmi-1 inhibitors PTC THERAPEUTICS, INC. (US) 2019-08-06 US claimed
US-20160214978-A1 SUBSTITUTED PYRIMIDINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. 2016-07-28 US claimed
EP-3039015-A1 SUBSTITUTED PYRIMIDINE BMI-1 INHIBITORS PTC Therapeutics, Inc. (US) 2016-07-06 EP claimed
WO-2015030847-A1 SUBSTITUTED PYRIMIDINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. (US) 2015-03-05 WO claimed
EP-3039015-B1 SUBSTITUTED PYRIMIDINE BMI-1 INHIBITORS PTC THERAPEUTICS INC (US) 2019-10-30 EP disclosed
EP-3039015-B1 SUBSTITUTED PYRIMIDINE BMI-1 INHIBITORS PTC THERAPEUTICS INC (US) 2019-10-30 EP disclosed
US-10370371-B2 Substituted pyrimidine Bmi-1 inhibitors PTC THERAPEUTICS, INC. (US) 2019-08-06 US disclosed
US-10370371-B2 Substituted pyrimidine Bmi-1 inhibitors PTC THERAPEUTICS, INC. (US) 2019-08-06 US disclosed
US-20160214978-A1 SUBSTITUTED PYRIMIDINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. 2016-07-28 US disclosed
US-20160214978-A1 SUBSTITUTED PYRIMIDINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. 2016-07-28 US disclosed
US-20160214978-A1 SUBSTITUTED PYRIMIDINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. 2016-07-28 US disclosed
EP-3039015-A1 SUBSTITUTED PYRIMIDINE BMI-1 INHIBITORS PTC Therapeutics, Inc. (US) 2016-07-06 EP disclosed
WO-2015030847-A1 SUBSTITUTED PYRIMIDINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. (US) 2015-03-05 WO 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-10370371-B2 Substituted pyrimidine Bmi-1 inhibitors BMI1, BAZ2A, BRPF3 BMI1 1/4885KCNH3 4224/4885PIK3CA 1968/4885
US-20160214978-A1 SUBSTITUTED PYRIMIDINE BMI-1 INHIBITORS BMI1, BAZ2A, BRPF3 BMI1 1/4885KCNH3 4224/4885PIK3CA 1968/4885

“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.