Sugi Predict

Sugi Predict / Compounds / SCHEMBL2854522

SCHEMBL2854522

SCHEMBL2854522

Cc1c(C(=O)NC(C)(C)C)cnn1-c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.64
▸ RAB9A P51151 15/20 0.64
▸ NPC1 O15118 14/20 0.64
▸ PKM P14618 3/20 0.64
▸ HPGD P15428 2/20 0.64
▸ NAMPT P43490 1/20 0.60
▸ NFKB1 P19838 1/20 0.58
▸ NFKB2 Q00653 1/20 0.58
▸ RELA Q04206 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ SLC9A1 P19634 1/20 0.56
▸ SLC9A2 Q9UBY0 1/20 0.56
▸ POLB P06746 1/20 0.55

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
SCHEMBL10202150 0.84 POLB (0.69) RAB9ANPC1HPGDPOLB
SCHEMBL10367090 0.84 HPGD (0.72) MAPK1RAB9ANPC1PKMHPGD
SCHEMBL21366467 0.83 NR4A3 (0.55) MAPK1HPGDSMN1; SMN2POLB
SCHEMBL28704189 0.82 HPGD (0.71) MAPK1RAB9ANPC1PKMHPGD
SCHEMBL2854027 0.82 ALDH1A1 (0.72) HPGDSMN1; SMN2POLB
SCHEMBL21366468 0.81 NR4A3 (0.52) MAPK1HPGDPOLB
SCHEMBL13619749 0.81 NR4A3 (0.52) MAPK1HPGDSMN1; SMN2POLB
SCHEMBL2860286 0.81 RAB9A (0.87) MAPK1RAB9ANPC1PKMHPGD
SCHEMBL12895723 0.81 MAPK1 (0.69) MAPK1RAB9ANPC1PKMHPGD
SCHEMBL2605692 0.80 HPGD (0.76) MAPK1RAB9ANPC1PKMHPGD

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-8907091-B2 Processes and intermediates for preparing fused heterocyclic kinase inhibitors METHYLGENE INC. (CA) 2014-12-09 — — US disclosed
US-8404846-B2 Inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2013-03-26 — — US disclosed
US-8389541-B2 Inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2013-03-05 — — US disclosed
US-20120108628-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY Mirati Therapeutics, Inc. 2012-05-03 — — US disclosed
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 — — EP disclosed
US-20090286984-A1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors Mirati Therapeutics, Inc. 2009-11-19 — — US disclosed
US-20090286984-A1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors Mirati Therapeutics, Inc. 2009-11-19 — — US disclosed
US-20090264440-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY Mirati Therapeutics, Inc. 2009-10-22 — — 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-20090286984-A1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors MAP3K19, MAP3K9, MAP4K2 MAPK1 196/4885RAB9A 1119/4885NPC1 4184/4885
US-20090264440-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY HGF, ERBB2, MET MAPK1 168/4885RAB9A 2424/4885NPC1 3563/4885
US-20120108628-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY HGF, ERBB2, MET MAPK1 168/4885RAB9A 2424/4885NPC1 3563/4885

“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.