SCHEMBL5352607

SCHEMBL5352607

Nc1nc(N)c2cc(Br)cnc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 13/20 0.51
CHEK1 O14757 1/20 0.49
AURKA O14965 1/20 0.49
DAPK3 O43293 1/20 0.49
JAK2 O60674 1/20 0.49
MAP4K4 O95819 1/20 0.49
PAK4 O96013 1/20 0.49
ABL1 P00519 1/20 0.49
CSF1R P07333 1/20 0.49
RET P07949 1/20 0.49
IGF1R P08069 1/20 0.49
FGFR1 P11362 1/20 0.49
PDGFRA P16234 1/20 0.49
PRKACA P17612 1/20 0.49
FLT1 P17948 1/20 0.49
LTK P29376 1/20 0.49
GRK5 P34947 1/20 0.49
KDR P35968 1/20 0.49
CSNK1A1 P48729 1/20 0.49
CDK8 P49336 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
SCHEMBL31350609 0.81 HTT (0.53) DHFRCHEK1AURKADAPK3JAK2
SCHEMBL4072522 0.81 DYRK1B (0.46) DHFRCHEK1AURKADAPK3JAK2
SCHEMBL17022105 0.81 PIK3CA (0.55) DHFRCHEK1AURKADAPK3JAK2
SCHEMBL5860470 0.80 DHFR (0.54) DHFR
SCHEMBL6307105 0.77 DHFR (0.55) DHFR
Bromide SCHEMBL5860544 0.75 DHFR (0.53) DHFR
SCHEMBL15637957 0.74 DYRK1B (0.50) CHEK1AURKADAPK3JAK2MAP4K4
SCHEMBL29472094 0.74 DYRK1B (0.50) CHEK1AURKADAPK3JAK2MAP4K4
SCHEMBL4068513 0.74 CDK1 (0.48) DHFRCHEK1AURKADAPK3JAK2
SCHEMBL6303945 0.73 DHFR (0.48) DHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 EP disclosed
EP-1836174-B1 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2013-02-27 EP disclosed
US-7256197-B2 Methods for synthesis of diarylmethanes DANA-FARBER CANCER INSTITUTE (US) 2007-08-14 US disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
US-20040267011-A1 Methods for synthesis of diarylmethanes DANA-FARBER CANCER INSTITUTE 2004-12-30 US disclosed
WO-2003031458-A1 METHODS FOR SYNTHESIS OF DIARYLMETHANES DANA-FARBER CANCER INSTITUTE (US) 2003-04-17 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-20040267011-A1 Methods for synthesis of diarylmethanes DHFR, DPYD, DHODH DHFR 1/4885CHEK1 3090/4885AURKA 1586/4885
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use MAP3K1, MAP3K5, MAP3K2 DHFR 1332/4885CHEK1 193/4885AURKA 532/4885

“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.