SCHEMBL4595367

SCHEMBL4595367

Cc1cc(Nc2ccccn2)nc(Cl)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.47
CDK5 Q00535 2/20 0.47
ABL1 P00519 2/20 0.47
CDK9 P50750 2/20 0.47
MAP4K4 O95819 1/20 0.47
LCK P06239 1/20 0.47
FYN P06241 1/20 0.47
IGF1R P08069 1/20 0.47
LTK P29376 1/20 0.47
MAP2K2 P36507 1/20 0.47
MAPK8 P45983 1/20 0.47
MAPK9 P45984 1/20 0.47
CLK2 P49760 1/20 0.47
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
CDK7 P50613 1/20 0.47
MAP2K1 Q02750 1/20 0.47
ACVR1 Q04771 1/20 0.47
PTK2 Q05397 1/20 0.47
NTRK3 Q16288 1/20 0.47

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
SCHEMBL4595845 0.83 KMT2A (0.48) KDRCDK5ABL1KMT2AMEN1
SCHEMBL16876539 0.81 MAP4K4 (0.61) KDRCDK5ABL1CDK9MAP4K4
SCHEMBL4595519 0.80 KMT2A (0.42) KDRCDK5ABL1CDK9LCK
SCHEMBL4475785 0.78 MAP4K4 (0.55) KDRCDK5ABL1CDK9MAP4K4
SCHEMBL18153286 0.77 KMT2A (0.51) KDRCDK5ABL1KMT2AMEN1
SCHEMBL2822274 0.76 KMT2A (0.52) KDRCDK5ABL1CDK9IGF1R
SCHEMBL18153262 0.75 SLC2A1 (0.53) KMT2AMEN1MAPK10LMNATP53
SCHEMBL16198311 0.75 SYK (0.53) KDRCDK5ABL1CDK9MAP4K4
SCHEMBL29391624 0.74 KMT2A (0.76) KDRKMT2AMEN1MAPK10GFER
SCHEMBL221242 0.74 KMT2A (0.76) KDRKMT2AMEN1MAPK10GFER

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
US-10273228-B2 Hepatitis B viral assembly effectors INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2019-04-30 US disclosed
US-20180099952-A1 HEPATITIS B VIRAL ASSEMBLY EFFECTORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2018-04-12 US disclosed
US-20180099952-A1 HEPATITIS B VIRAL ASSEMBLY EFFECTORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2018-04-12 US disclosed
US-9868720-B2 C-linked heterocycloaklyl substituted pyrimidines and their uses GENENTECH, INC. (US) 2018-01-16 US disclosed
US-20160046608-A1 C-Linked Heterocycloaklyl Substituted Pyrimidines and their uses GENENTECH, INC. (US) 2016-02-18 US disclosed
US-20080171742-A1 4-(Pyrid-2-Yl) Amino Substituted Pyrimidine as Protein Kinase Inhibitors ASRAZENECA (SE) 2008-07-17 US disclosed
EP-1871771-A1 4-(PYRID-2-YL) AMINO SUBSTITUTED PYRIMIDINE AS PROTEIN KINASE INHIBITORS AstraZeneca AB (SE) 2008-01-02 EP disclosed
WO-2006109026-A1 4-(PYRID-2-YL) AMINO SUBSTITUTED PYRIMIDINE AS PROTEIN KINASE INHIBITORS ASTRAZENECA AB (SE) 2006-10-19 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 (4 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-20160046608-A1 C-Linked Heterocycloaklyl Substituted Pyrimidines and their uses TYMS, DPYD, TYMP KDR 1618/4885CDK5 487/4885ABL1 1829/4885
US-20180099952-A1 HEPATITIS B VIRAL ASSEMBLY EFFECTORS HAVCR2, MAVS, HCCS KDR 4762/4885CDK5 1389/4885ABL1 2926/4885
US-20080171742-A1 4-(Pyrid-2-Yl) Amino Substituted Pyrimidine as Protein Kinase Inhibitors IGF1R, IGFBP1, IRS1 KDR 27/4885CDK5 203/4885ABL1 34/4885
US-10273228-B2 Hepatitis B viral assembly effectors HAVCR2, MAVS, HCCS KDR 4762/4885CDK5 1389/4885ABL1 2926/4885

“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.