SCHEMBL4174950

SCHEMBL4174950

COc1cccc(-c2nnc(-c3ccccc3N(CC3=COCO3)Cc3ccccc3)[nH]2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 1/20 0.36
NR3C1 P04150 1/20 0.36
HSD17B2 P37059 1/20 0.35
F2R P25116 2/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
G6PC1 P35575 1/20 0.33
CYP1A2 P05177 3/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C19 P33261 2/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP2C9 P11712 2/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL4185707 0.89 NR3C1 (0.38) NR3C1
SCHEMBL4174291 0.88 CSF1R (0.38) CSF1RHSD17B2F2RCYP1A2CYP3A4
SCHEMBL4181162 0.84 CXCR2 (0.36) NR3C1KMT2A
SCHEMBL4176751 0.79 NR3C1 (0.34) NR3C1
SCHEMBL4181577 0.76 NOS1 (0.39) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL4173348 0.75 MEN1 (0.36) CSF1RMAPTALDH1A1HTTKMT2A
SCHEMBL4174808 0.75 HPGDS (0.31)
SCHEMBL4180570 0.71 KDM4E (0.38) CSF1RLMNAMAPTKDM4EALDH1A1
SCHEMBL4176947 0.71 TUBB4A (0.35) CSF1R
SCHEMBL4175509 0.71 ALDH1A1 (0.44) CYP1A2CYP3A4CYP2D6LMNATSHR

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
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents CHEN XIAOLING 2009-12-24 US disclosed
US-20090048301-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS ANTICANCER AGENTS IMCLONE SYSTEMS INCORPORATED (US) 2009-02-19 US disclosed
WO-2005004818-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE AS ANTICANCER AGENTS IMCLONE SYSTEMS INCORPORATED (US) 2005-01-20 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-20090048301-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS ANTICANCER AGENTS TP53, MCL1, VHL CSF1R 4076/4885NR3C1 3725/4885HSD17B2 3132/4885
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents TP53, MCL1, VHL CSF1R 4076/4885NR3C1 3725/4885HSD17B2 3132/4885

“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.