SCHEMBL18371448

SCHEMBL18371448

C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(C)CC4)cc3)ncc2C)c1

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 11/20 0.78
SRC P12931 2/20 0.74
BTK Q06187 3/20 0.72
EGFR P00533 4/20 0.69
JAK3 P52333 2/20 0.69
ITK Q08881 1/20 0.68
TEC P42680 1/20 0.68
SLK Q9H2G2 1/20 0.68
JAK2 O60674 1/20 0.67
JAK1 P23458 1/20 0.67
BRD2 P25440 1/20 0.67
BRD3 Q15059 1/20 0.67
BRDT Q58F21 1/20 0.67

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
SCHEMBL31684788 1.00 BRD4 (0.78) BRD4SRCBTKEGFRJAK3
SCHEMBL28980990 0.93 SRC (0.69) BRD4SRCBTKEGFRJAK3
SCHEMBL18371442 0.91 EGFR (0.79) BRD4SRCBTKEGFRITK
SCHEMBL31684778 0.91 BTK (0.80) BRD4SRCBTKEGFRJAK3
SCHEMBL28980968 0.91 BTK (0.80) BRD4SRCBTKEGFRJAK3
SCHEMBL18371455 0.91 EGFR (0.79) BRD4SRCBTKEGFRJAK3
SCHEMBL28980983 0.90 EGFR (0.72) BRD4SRCBTKEGFRJAK3
SCHEMBL31684784 0.90 EGFR (0.72) BRD4SRCBTKEGFRJAK3
SCHEMBL18371443 0.89 SRC (0.67) BRD4SRCBTKEGFRJAK3
SCHEMBL265060 0.88 BRD4 (0.82) BRD4JAK3JAK2JAK1BRD2

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
CN-115894381-A 2,4,5-trisubstituted pyrimidine compound and preparation method and application thereof 温州医科大学 2023-04-04 CN claimed
CN-115894381-A 2,4,5-trisubstituted pyrimidine compound and preparation method and application thereof 温州医科大学 2023-04-04 CN disclosed
US-20170008856-A1 SUBSTITUTED PYRIMIDINES USEFUL AS EGFR-T790M KINASE INHIBITORS JIANGSU MEDOLUTION LTD (CN) 2017-01-12 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-20170008856-A1 SUBSTITUTED PYRIMIDINES USEFUL AS EGFR-T790M KINASE INHIBITORS EGFR, ERBB2, ERBB3 BRD4 1328/4885SRC 124/4885BTK 233/4885

“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.