Sugi Predict

Sugi Predict / Compounds / SCHEMBL14949331

SCHEMBL14949331

SCHEMBL14949331

CCOc1cc(Oc2cccc(-c3nnc(Nc4cccc(C)c4)[nH]3)c2)nc(N)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ NOD1 Q9Y239 1/20 0.36
▸ NUDT1 P36639 1/20 0.34
▸ SYK P43405 1/20 0.33
▸ MAPT P10636 4/20 0.33
▸ TP53 P04637 3/20 0.33
▸ CDK8 P49336 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ NOTUM Q6P988 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ EGFR P00533 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ HPGD P15428 1/20 0.32

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
SCHEMBL14949247 0.92 RAB9A (0.37) RAB9ANPC1ALDH1A1MAPK1NOD1
SCHEMBL14949359 0.90 KDR (0.35) RAB9ANPC1NOD1SYKMAPT
SCHEMBL14949368 0.89 RAB9A (0.36) RAB9ANPC1ALDH1A1NOD1NUDT1
SCHEMBL14949332 0.89 RAB9A (0.38) RAB9ANPC1MAPK1NOD1NUDT1
SCHEMBL14949316 0.89 RAB9A (0.36) RAB9ANPC1NOD1NUDT1MAPT
SCHEMBL12336527 0.88 PDGFRB (0.41) RAB9ANPC1ALDH1A1MAPK1MAPT
SCHEMBL14949356 0.88 CDK8 (0.34) RAB9ANPC1ALDH1A1MAPK1NOD1
SCHEMBL14949309 0.86 ROCK1 (0.40) RAB9ANPC1NOD1CDK8MAP4K4
SCHEMBL14949378 0.84 SYK (0.37) RAB9AALDH1A1MAPK1SYKMAPT
SCHEMBL14949345 0.84 NPC1 (0.34) RAB9ANPC1NOD1SYKMAPT

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
US-20160096824-A1 Heterocyclic Compounds Useful for Kinase Inhibition AMITECH THERAPEUTIC SOLUTIONS, INC. 2016-04-07 — — US disclosed
US-9212151-B2 Heterocyclic compounds useful for kinase inhibition AMITECH THERAPEUTIC SOLUTIONS, INC. (US) 2015-12-15 — — US disclosed
US-20150158828-A1 Heterocyclic Compounds Useful for Kinase Inhibition AMITECH THERAPEUTIC SOLUTIONS, INC. 2015-06-11 — — US disclosed
US-8957216-B2 Heterocyclic compounds useful for kinase inhibition AMITECH THERAPEUTIC SOLUTIONS, INC. (US) 2015-02-17 — — US disclosed
US-20130123284-A1 HETEROCYCLIC COMPOUNDS USEFUL FOR KINASE INHIBITION AMITECH THERAPEUTIC SOLUTIONS INC (US) 2013-05-16 — — 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 (3 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-20130123284-A1 HETEROCYCLIC COMPOUNDS USEFUL FOR KINASE INHIBITION MAP4K2, MAP3K20, MAP3K19 RAB9A 1281/4885NPC1 3866/4885ALDH1A1 3693/4885
US-20150158828-A1 Heterocyclic Compounds Useful for Kinase Inhibition MAP4K2, MAP3K20, MAP3K19 RAB9A 1281/4885NPC1 3866/4885ALDH1A1 3693/4885
US-20160096824-A1 Heterocyclic Compounds Useful for Kinase Inhibition MAP4K2, MAP3K20, MAP3K19 RAB9A 1281/4885NPC1 3866/4885ALDH1A1 3693/4885

“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.