SCHEMBL3931336

SCHEMBL3931336

Clc1nccc(Nc2cc(C3CCCC3)n[nH]2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 7/20 0.40
NEK1 Q96PY6 1/20 0.36
FGFR1 P11362 2/20 0.35
KDR P35968 2/20 0.35
KMT2A Q03164 1/20 0.35
PAK4 O96013 3/20 0.34
PAK1 Q13153 3/20 0.34
SYK P43405 1/20 0.34
PLK4 O00444 1/20 0.34
AURKA O14965 1/20 0.34
JAK2 O60674 1/20 0.34
MAP4K4 O95819 1/20 0.34
EGFR P00533 1/20 0.34
NTRK1 P04629 1/20 0.34
INSR P06213 1/20 0.34
LCK P06239 1/20 0.34
FYN P06241 1/20 0.34
CDK1 P06493 1/20 0.34
CSF1R P07333 1/20 0.34
LYN P07948 1/20 0.34

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
SCHEMBL4066643 0.95 IGF1R (0.42) IGF1RNEK1FGFR1KDRPAK4
SCHEMBL26225584 0.84 IGF1R (0.45) IGF1RNEK1FGFR1KDRPAK4
SCHEMBL26226691 0.81 IGF1R (0.49) IGF1RNEK1FGFR1KDRPAK4
SCHEMBL26231136 0.81 SYK (0.40) IGF1RPAK4PAK1SYKSRC
SCHEMBL26226735 0.81 IGF1R (0.43) IGF1RNEK1FGFR1KDRPAK4
SCHEMBL28800603 0.80 NEK1 (0.39) IGF1RNEK1FGFR1KDRPAK4
SCHEMBL14723204 0.79 IGF1R (0.60) IGF1RNEK1PAK4PAK1
SCHEMBL26225582 0.79 IGF1R (0.36) IGF1RFGFR1KDREGFRSRC
SCHEMBL6385269 0.77 SYK (0.37) KMT2APAK4PAK1SYKJAK2
SCHEMBL14723389 0.77 NISCH (0.36) IGF1RNEK1KMT2APAK4SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117586234-A CDKL 3-targeted small molecule inhibitor HZ1 and derivative HZ1-X thereof 盛韧 2024-02-23 CN disclosed
CN-101501030-A Pyrimidine derivatives useful in the treatment of cancer ASTRAZENECA AB (SE) 2009-08-05 CN disclosed
EP-2044063-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Astra Zeneca AB (SE) 2009-04-08 EP disclosed
WO-2008001070-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-01-03 WO disclosed
US-20080004302-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-01-03 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-20080004302-A1 Novel Compounds CYP11B2, CYP11B1, CYP46A1 IGF1R 3217/4885NEK1 1292/4885FGFR1 1428/4885

“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.