SCHEMBL5394102

SCHEMBL5394102

CN(c1ccccc1)c1ccnc(Cl)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.44
DHFR P00374 2/20 0.42
CDK2 P24941 1/20 0.42
GSK3B P49841 1/20 0.42
DYRK1A Q13627 1/20 0.42
KDR P35968 3/20 0.41
FGFR1 P11362 2/20 0.41
EPHB4 P54760 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
MAPT P10636 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CSF1R P07333 1/20 0.38
AURKA O14965 1/20 0.38
EGFR P00533 2/20 0.37
PDGFRB P09619 1/20 0.36

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
SCHEMBL4431783 0.83 KDR (0.50) CHKAKDRFGFR1EPHB4RXRA
SCHEMBL4731660 0.83 KCNH2 (0.40) DHFRKDRRXRARXRBALDH1A1
SCHEMBL18780862 0.81 CDK2 (0.47) CHKADHFRCDK2GSK3BDYRK1A
SCHEMBL1024535 0.81 KDR (0.39) CHKADYRK1AKDRFGFR1EPHB4
SCHEMBL16655520 0.81 RXRA (0.40) CHKAKDRFGFR1EPHB4MEN1
SCHEMBL17266579 0.80 KCNH2 (0.42) KDRFGFR1EPHB4AURKAEGFR
SCHEMBL4295173 0.80 KDR (0.48) DHFRKDREGFRPDGFRB
SCHEMBL6313916 0.80 IGF1R (0.54) KDRPDGFRBCYP1A2
SCHEMBL15489570 0.79 AURKA (0.53) CHKAKDRFGFR1EPHB4RXRA
SCHEMBL9391735 0.79 HRH3 (0.53) DHFRKDRFGFR1EPHB4AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015057963-A1 FGFR4 INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-23 WO disclosed
WO-2015057963-A1 FGFR4 INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-23 WO disclosed
US-7176212-B2 2,4-diamino pyrimidine compounds having anti-cell proliferative activity ASTRAZENECA AB (SE) 2007-02-13 US disclosed
EP-1107957-B1 PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2006-10-18 EP disclosed
US-20050090493-A1 2,4-Diamino pyrimidine compounds having anti-cell proliferative activity ASTRAZENECA AB 2005-04-28 US disclosed
EP-1107957-A1 PYRIMIDINE COMPOUNDS AstraZeneca AB (SE) 2001-06-20 EP disclosed
WO-2000012485-A1 PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2000-03-09 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 (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-20050090493-A1 2,4-Diamino pyrimidine compounds having anti-cell proliferative activity H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-3, H1-0 CHKA 370/4885DHFR 14/4885CDK2 74/4885

“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.