SCHEMBL2605692

SCHEMBL2605692

CCNC(=O)c1cnn(-c2ccccc2)c1C

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.76
RAB9A P51151 14/20 0.65
NPC1 O15118 13/20 0.65
NFKB1 P19838 1/20 0.65
NFKB2 Q00653 1/20 0.65
RELA Q04206 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
MAPK1 P28482 1/20 0.64
PKM P14618 3/20 0.64
POLB P06746 1/20 0.61
EED O75530 1/20 0.60
RBBP4 Q09028 1/20 0.60
SUZ12 Q15022 1/20 0.60
EZH2 Q15910 1/20 0.60
AEBP2 Q6ZN18 1/20 0.60
NAMPT P43490 1/20 0.60
SLC9A1 P19634 1/20 0.56
SLC9A2 Q9UBY0 1/20 0.56

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
SCHEMBL2856089 0.86 HPGD (1.00) HPGDRAB9ANPC1NFKB1NFKB2
SCHEMBL28704189 0.85 HPGD (0.71) HPGDRAB9ANPC1NFKB1NFKB2
SCHEMBL2605842 0.84 POLB (0.69) HPGDRAB9ANPC1POLB
SCHEMBL10364571 0.84 HPGD (0.55) HPGDRAB9ANPC1NFKB1NFKB2
SCHEMBL10364983 0.84 HPGD (0.55) HPGDRAB9ANPC1NFKB1NFKB2
SCHEMBL2857896 0.84 HPGD (0.77) HPGDRAB9ANPC1NFKB1NFKB2
SCHEMBL10367090 0.84 HPGD (0.72) HPGDRAB9ANPC1NFKB1NFKB2
SCHEMBL2605690 0.81 ALDH1A1 (0.74) HPGDSMN1; SMN2POLB
SCHEMBL10368553 0.81 HPGD (0.52) HPGDRAB9ANPC1NFKB1NFKB2
SCHEMBL2860286 0.81 RAB9A (0.87) HPGDRAB9ANPC1NFKB1NFKB2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120095234-A1 PROCESSES AND INTERMEDIATES FOR PREPARING FUSED HETEROCYCLIC KINASE INHIBITORS Mirati Therapeutics, Inc. 2012-04-19 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 (1 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-20120095234-A1 PROCESSES AND INTERMEDIATES FOR PREPARING FUSED HETEROCYCLIC KINASE INHIBITORS MAP3K19, MAP3K9, MAP4K2 HPGD 1051/4885RAB9A 1119/4885NPC1 4184/4885

“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.