SCHEMBL396727

SCHEMBL396727

Cn1nccc1NC(=O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
KMT2A Q03164 3/20 0.50
MAPK14 Q16539 1/20 0.50
HPGDS O60760 1/20 0.50
GAA P10253 1/20 0.49
JAK2 O60674 1/20 0.49
TYK2 P29597 1/20 0.49
MAPK8 P45983 1/20 0.48
MAPK10 P53779 1/20 0.48
PKM P14618 1/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
CYP2C9 P11712 1/20 0.47
MEN1 O00255 1/20 0.46

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
SCHEMBL3767339 0.85 RAB9A (0.51) KMT2AMAPK14HPGDSGAANPC1
SCHEMBL19520435 0.84 LMNA (0.56) NPC1RAB9A
SCHEMBL13213725 0.84 POLB (0.50) POLBKMT2AMAPK14HPGDSPKM
SCHEMBL14699724 0.83 KMT2A (0.54) POLBKMT2AMAPK14HPGDSGAA
SCHEMBL14938017 0.81 OXTR (0.57) KMT2AHPGDS
SCHEMBL3268236 0.80 KMT2A (0.57) POLBKMT2AMAPK14HPGDSNPC1
SCHEMBL395662 0.80 TYK2 (0.55) KMT2AMAPK14TYK2NPC1RAB9A
SCHEMBL13137735 0.79 MAPK8 (0.48) POLBKMT2AMAPK14HPGDSMAPK8
SCHEMBL13235065 0.79 KMT2A (0.73) POLBKMT2AMAPK14NPC1RAB9A
SCHEMBL3892152 0.78 HPGDS (0.49) POLBKMT2AMAPK14HPGDSMAPK8

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-8314131-B2 Triazole fused heteroaryl compounds and methods of use thereof AMGEN INC. (US) 2012-11-20 US disclosed
US-8101612-B2 N-3-isoxazolyl-4-methyl-3-(1-((1-methylethyl)oxy)-6-phthalazinyl)benzamide; p38 kinase inhibitor; antiinflammatory, analgesic agent; rheumatoid arthritis, osteoporosis, leukemia, psoriasis, Crohn's disease, rhinitis, ulcerative colitis, dermatitis, asthma, Alzheimer's disease, type I and II diabetes AMGEN INC. (US) 2012-01-24 US disclosed
US-20100292234-A1 TRIAZOLE FUSED HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF AMGEN INC. (US) 2010-11-18 US disclosed
US-7700593-B2 Imidazo- and triazolo-pyridine compounds and methods of use thereof AMGEN INC. (US) 2010-04-20 US disclosed
US-20080161303-A1 Imidazo- and triazolo-pyridine compounds and methods of use thereof AMGEN INC. (US) 2008-07-03 US disclosed
US-20080119468-A1 Phthalazine, aza-and diaza-phthalazine compounds and methods of use AMGEN INC. (US) 2008-05-22 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-20100292234-A1 TRIAZOLE FUSED HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF MAPK1, MAPK3, CNKSR1 POLB 2612/4885KMT2A 3793/4885MAPK14 46/4885
US-20080119468-A1 Phthalazine, aza-and diaza-phthalazine compounds and methods of use DAPK2, CDK2, DAPK1 POLB 2547/4885KMT2A 260/4885MAPK14 293/4885
US-20080161303-A1 Imidazo- and triazolo-pyridine compounds and methods of use thereof MAPK1, MAP3K1, MAP3K7 POLB 2333/4885KMT2A 3439/4885MAPK14 39/4885

“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.