SCHEMBL5257635

SCHEMBL5257635

O=C(NCCCN1CCCC1=O)c1ccc(Nc2ncc(Br)c(Nc3ccc(F)cc3)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.53
TYRO3 Q06418 6/20 0.53
ALDH1A1 P00352 1/20 0.52
TSHR P16473 1/20 0.52
NAMPT P43490 2/20 0.52
CASK O14936 2/20 0.52
MERTK Q12866 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MEN1 O00255 1/20 0.52
HTT P42858 1/20 0.52
KMT2A Q03164 1/20 0.52
GAA P10253 1/20 0.51
TBK1 Q9UHD2 1/20 0.49
KDM4E B2RXH2 1/20 0.49
HSD17B10 Q99714 1/20 0.49
PTK2 Q05397 1/20 0.48

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
SCHEMBL5260652 0.76 TBK1 (0.61) TBK1
SCHEMBL16496160 0.76 ALDH1A1 (0.60) CYP2C19ALDH1A1TSHRNAMPTSMN1; SMN2
SCHEMBL13897569 0.76 TYRO3 (0.49) TYRO3CASKTBK1
SCHEMBL5262926 0.75 GSK3B (0.81) PTK2
SCHEMBL4768542 0.75 KMT2A (0.69) CYP2C19ALDH1A1TSHRNAMPTSMN1; SMN2
SCHEMBL1735140 0.74 SMN1; SMN2 (0.63) CYP2C19TYRO3ALDH1A1TSHRNAMPT
SCHEMBL3449465 0.74 STK17A (0.55) CYP2C19ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL14021110 0.73 JAK2 (0.55) TYRO3ALDH1A1TSHRNAMPTSMN1; SMN2
SCHEMBL14021562 0.73 JAK2 (0.57) ALDH1A1TSHRNAMPTSMN1; SMN2TBK1
SCHEMBL3290772 0.73 CHEK1 (0.58) TYRO3PTK2

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
EP-1268444-B1 2,4-DI(HETERO-)ARYLAMINO(-OXY)-5-SUBSTITUTED PYRMIDINES AS ANTINEOPLASTIC AGENTS ASTRAZENECA AB (SE) 2007-01-17 EP disclosed
US-6649608-B2 Cyclin-dependent serine/threonine and focal adhesion kinase inhibitors ASTRAZENECA AB (SE) 2003-11-18 US disclosed
US-20030149266-A1 2,4-Di(hetero-)arylamino (oxy)-5-substituted pyrimidines as antineoplastic agents ASTRAZENECA AB (SE) 2003-08-07 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-20030149266-A1 2,4-Di(hetero-)arylamino (oxy)-5-substituted pyrimidines as antineoplastic agents CDK2, CCNI, CDK1 CYP2C19 688/4885TYRO3 174/4885ALDH1A1 1485/4885

“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.