SCHEMBL17709587

SCHEMBL17709587

CNc1nc(Nc2ccc(N3CCN(C)CC3)cc2)ncc1C=C[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 7/20 0.55
ALK Q9UM73 1/20 0.53
EGFR P00533 4/20 0.53
PLK1 P53350 2/20 0.51
JAK2 O60674 1/20 0.50
FLT3 P36888 1/20 0.50
SYK P43405 3/20 0.49
CCNA2 P20248 2/20 0.49
CDK2 P24941 2/20 0.49
CCND3 P30281 2/20 0.49
FGFR1 P11362 2/20 0.49
CCNK O75909 1/20 0.49
CDK9 P50750 1/20 0.49
CDK6 Q00534 1/20 0.49
CCNB2 O95067 1/20 0.49
CCNE2 O96020 1/20 0.49
CDK1 P06493 1/20 0.49
CDK4 P11802 1/20 0.49
CCNB1 P14635 1/20 0.49
FGFR2 P21802 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
SCHEMBL16120656 1.00 BRD4 (0.55) BRD4ALKEGFRPLK1JAK2
SCHEMBL16120467 0.87 SYK (0.61) BRD4EGFRSYKCCNA2CDK2
SCHEMBL17709573 0.87 SYK (0.61) BRD4EGFRSYKCCNA2CDK2
SCHEMBL12064871 0.83 EGFR (0.69) BRD4ALKEGFRPLK1JAK2
SCHEMBL17709570 0.83 ALK (0.57) BRD4ALKEGFRSYKCCNA2
SCHEMBL16120499 0.83 ALK (0.57) BRD4ALKEGFRSYKCCNA2
SCHEMBL16120430 0.83 SYK (0.56) BRD4ALKEGFRSYKCDK2
SCHEMBL16094952 0.83 SYK (0.56) BRD4ALKEGFRSYKCDK2
SCHEMBL16102345 0.82 ALK (0.55) BRD4ALKEGFRCCNA2CDK2
SCHEMBL16102344 0.82 ALK (0.55) BRD4ALKEGFRCCNA2CDK2

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 5 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 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 BRD4 1199/4885ALK 941/4885EGFR 796/4885

“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.