Sugi Predict

Sugi Predict / Compounds / SCHEMBL4173786

SCHEMBL4173786

SCHEMBL4173786

COc1cccc(-c2nnc(-c3ccccc3NCc3ccc4[nH]cnc4c3)[nH]2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CLK4 Q9HAZ1 7/20 0.40
▸ CYP1A2 P05177 5/20 0.40
▸ CYP3A4 P08684 5/20 0.40
▸ CYP2D6 P10635 5/20 0.40
▸ TSHR P16473 5/20 0.40
▸ MAPK1 P28482 5/20 0.40
▸ CYP2C19 P33261 5/20 0.40
▸ HIF1A Q16665 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ TP53 P04637 2/20 0.40
▸ QPCT Q16769 3/20 0.40
▸ QPCTL Q9NXS2 1/20 0.40
▸ EGFR P00533 2/20 0.39
▸ IGF1R P08069 2/20 0.39
▸ DYRK1A Q13627 3/20 0.39
▸ CLK1 P49759 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HPGD P15428 1/20 0.39

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
SCHEMBL4176759 0.89 KDR (0.41) CYP1A2CYP3A4CYP2C19CYP2C9ACP1
SCHEMBL4170851 0.82 ABCB1 (0.52) CLK4CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL4165947 0.82 KDR (0.37) CYP3A4QPCTQPCTLEGFRIGF1R
SCHEMBL4168403 0.82 ROCK2 (0.47) CLK4KDRPDE4B
SCHEMBL29550590 0.81 ACP1 (0.46) QPCTQPCTLDYRK1ACLK1ALDH1A1
SCHEMBL22712388 0.81 ACP1 (0.46) QPCTQPCTLDYRK1ACLK1ALDH1A1
SCHEMBL4166211 0.80 KDR (0.43) CYP1A2CYP3A4CYP2D6TSHRMAPK1
SCHEMBL4174943 0.79 CLK4 (0.53) CLK4MAPK1HSD17B10TP53ALDH1A1
SCHEMBL20522347 0.76 KMT2A (0.48) CLK4QPCTQPCTLDYRK1AALDH1A1
SCHEMBL29550895 0.76 KMT2A (0.48) CLK4QPCTQPCTLDYRK1AALDH1A1

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 6 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-20090318438-A1 Heterocyclic compounds and their use as anticancer agents CHEN XIAOLING 2009-12-24 — — US disclosed
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
US-20090048301-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS ANTICANCER AGENTS IMCLONE SYSTEMS INCORPORATED (US) 2009-02-19 — — US disclosed
US-20090048301-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS ANTICANCER AGENTS IMCLONE SYSTEMS INCORPORATED (US) 2009-02-19 — — 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 (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 CLK4 4055/4885CYP1A2 1124/4885CYP3A4 852/4885
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents TP53, MCL1, VHL CLK4 4055/4885CYP1A2 1124/4885CYP3A4 852/4885

“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.