SCHEMBL16094337

SCHEMBL16094337

CSc1ncc(C=CC#N)c(NCC2CC2)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.34
KDM4E B2RXH2 1/20 0.33
CHUK O15111 1/20 0.33
PRKCQ Q04759 4/20 0.33
LRRK2 Q5S007 1/20 0.33
USP30 Q70CQ3 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
KHK P50053 6/20 0.32
MAP4K4 O95819 2/20 0.32
CHEK1 O14757 2/20 0.32
PRKD3 O94806 1/20 0.32
CDK1 P06493 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
PIM1 P11309 1/20 0.32
CYP2C9 P11712 1/20 0.32
CDK2 P24941 1/20 0.32
MAPK9 P45984 1/20 0.32
CSNK1D P48730 1/20 0.32
CLK2 P49760 1/20 0.32

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
SCHEMBL16094336 1.00 PPARG (0.34) PPARGKDM4ECHUKPRKCQLRRK2
SCHEMBL16120621 0.83 KDM4E (0.39) KDM4ELRRK2CYP3A4CYP2D6
SCHEMBL22150288 0.83 KDM4E (0.39) KDM4ELRRK2CYP3A4CYP2D6
SCHEMBL17709576 0.81 MERTK (0.44) PPARGKDM4ELRRK2CYP3A4CYP2D6
SCHEMBL16120587 0.81 MERTK (0.44) PPARGKDM4ELRRK2CYP3A4CYP2D6
SCHEMBL16094324 0.81 ALDH1A1 (0.38) KDM4ECYP3A4CYP2D6
SCHEMBL16120614 0.81 ALDH1A1 (0.38) KDM4ECYP3A4CYP2D6
SCHEMBL16094485 0.81 PPARG (0.39) PPARGPRKCQLRRK2TRPM8KHK
SCHEMBL16100027 0.80 ALDH1A1 (0.35) KDM4ECYP3A4CYP2D6
SCHEMBL16100026 0.80 ALDH1A1 (0.35) KDM4ECYP3A4CYP2D6

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-3733184-B1 PYRIMIDINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ICAHN SCHOOL MED MOUNT SINAI (US) 2023-08-30 EP claimed
EP-3733184-A1 PYRIMIDINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER Icahn School of Medicine at Mount Sinai (US) 2020-11-04 EP claimed
EP-2968331-B1 PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS ICAHN SCHOOL MED MOUNT SINAI (US) 2020-07-01 EP claimed
US-9815847-B2 Pyrimidine compounds as kinase inhibitors ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2017-11-14 US claimed
US-20160122361-A1 PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI 2016-05-05 US claimed
EP-2968331-A1 PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS Icahn School of Medicine at Mount Sinai (US) 2016-01-20 EP claimed
WO-2014151682-A1 PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2014-09-25 WO claimed
EP-3733184-B1 PYRIMIDINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ICAHN SCHOOL MED MOUNT SINAI (US) 2023-08-30 EP disclosed
EP-3733184-A1 PYRIMIDINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER Icahn School of Medicine at Mount Sinai (US) 2020-11-04 EP disclosed
EP-2968331-B1 PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS ICAHN SCHOOL MED MOUNT SINAI (US) 2020-07-01 EP disclosed
US-9815847-B2 Pyrimidine compounds as kinase inhibitors ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2017-11-14 US disclosed
US-20160122361-A1 PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI 2016-05-05 US disclosed
EP-2968331-A1 PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS Icahn School of Medicine at Mount Sinai (US) 2016-01-20 EP disclosed
WO-2014151682-A1 PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2014-09-25 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 (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-20160122361-A1 PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS DCK, TK1, DTYMK PPARG 1982/4885KDM4E 1444/4885CHUK 95/4885

“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.