SCHEMBL17709573

SCHEMBL17709573

CN1CCN(c2ccc(Nc3ncc(C=C[N+](=O)[O-])c(NC4CCCC4)n3)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SYK P43405 12/20 0.61
EGFR P00533 2/20 0.56
BRD4 O60885 5/20 0.51
PAK4 O96013 1/20 0.49
CCNE2 O96020 1/20 0.49
CDK4 P11802 1/20 0.49
CCNA2 P20248 1/20 0.49
CCND1 P24385 1/20 0.49
CCNE1 P24864 1/20 0.49
CDK2 P24941 1/20 0.49
CCND2 P30279 1/20 0.49
CCND3 P30281 1/20 0.49
CCNA1 P78396 1/20 0.49
PAK1 Q13153 1/20 0.49
PKN1 Q16512 1/20 0.49

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
SCHEMBL16120467 1.00 SYK (0.61) SYKEGFRBRD4PAK4CCNE2
SCHEMBL17709587 0.87 BRD4 (0.55) SYKEGFRBRD4CCNE2CDK4
SCHEMBL16120656 0.87 BRD4 (0.55) SYKEGFRBRD4CCNE2CDK4
SCHEMBL5513153 0.85 SYK (0.65) SYKEGFRBRD4PAK4CCNE2
SCHEMBL16120437 0.85 SYK (0.67) SYKEGFRBRD4CDK4CCND1
SCHEMBL16094466 0.85 SYK (0.67) SYKEGFRBRD4CDK4CCND1
SCHEMBL16094582 0.85 SYK (0.67) SYKEGFRBRD4
SCHEMBL16120436 0.85 SYK (0.67) SYKEGFRBRD4
SCHEMBL12639219 0.84 SYK (0.64) SYKEGFRBRD4PAK4CCNE2
SCHEMBL16120651 0.84 EGFR (0.62) SYKEGFRBRD4PAK4CCNE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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 SYK 1391/4885EGFR 796/4885BRD4 1199/4885

“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.