SCHEMBL6454128

SCHEMBL6454128

CCCNC(=O)c1cc(-c2ccc3ccccc3c2)n(-c2ccccn2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MARS1 P56192 2/20 0.44
▸ CNR1 P21554 1/20 0.43
▸ CNR2 P34972 1/20 0.43
▸ SLC6A4 P31645 2/20 0.43
▸ MALT1 Q9UDY8 7/20 0.42
▸ RIPK1 Q13546 1/20 0.42
▸ HTR1A P08908 1/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CACNA1G O43497 1/20 0.40
▸ CACNA1H O95180 1/20 0.40
▸ SLC16A3 O15427 1/20 0.40

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
SCHEMBL6454700 0.82 TP53 (0.44) MALT1RIPK1NFKB1NFKB2RELA
SCHEMBL6451253 0.82 ALDH1A1 (0.52) SLC6A4RIPK1HTR1ADRD2HTR2A
SCHEMBL6457030 0.81 MARS1 (0.62) MARS1SMN1; SMN2SLC16A3
SCHEMBL6453503 0.81 ALDH1A1 (0.53) MARS1SLC6A4TP53HPGDSMN1; SMN2
SCHEMBL28767212 0.72 CACNA1G (0.62) MARS1HPGDCACNA1GCACNA1H
SCHEMBL6454028 0.71 ALDH1A1 (0.56) TP53HPGDSMN1; SMN2
SCHEMBL3715361 0.69 KMT2A (0.69) SMN1; SMN2
SCHEMBL30131390 0.69 KMT2A (0.69) SMN1; SMN2
SCHEMBL6454155 0.69 ALDH1A1 (0.53) MARS1TP53HPGDSLC16A3
SCHEMBL6451304 0.69 SMN1; SMN2 (0.46) MALT1TP53HPGDSMN1; SMN2CACNA1G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2005-04-07 — — US disclosed
WO-2004110351-A2 HETEROCYCLIC COMPOUNDS FOR TREATING HEPATITIS C VIRUS ANADYS PHARMACEUTICALS, INC. (US) 2004-12-23 — — WO 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-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus HAVCR2, HCCS, LIPC MARS1 2921/4885CNR1 411/4885CNR2 679/4885

“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.

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