SCHEMBL7123516

SCHEMBL7123516

CN1CCN(C(=O)c2cccc(-c3cc4nccc(Cl)c4s3)n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HSD11B1 P28845 1/20 0.42
SCN7A Q01118 1/20 0.40
KCNH2 Q12809 1/20 0.40
HRH4 Q9H3N8 4/20 0.40
LANCL2 Q9NS86 1/20 0.40
HPGD P15428 1/20 0.40
SRC P12931 2/20 0.40
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
SYK P43405 2/20 0.38
MAPKAPK2 P49137 1/20 0.38
PIK3CA P42336 1/20 0.38
MTOR P42345 1/20 0.38

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
SCHEMBL7126957 0.88 HTR2C (0.44) ERN1NPC1RAB9AALDH1A1HSD11B1
SCHEMBL7118397 0.79 ALDH1A1 (0.43) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL2537201 0.78 KDM4E (0.50) NPC1RAB9AALDH1A1HRH4HPGD
SCHEMBL5838894 0.78 HTR2C (0.50) HRH4SRCGABRA2GABRB2HRH3
SCHEMBL7669913 0.77 SRC (0.39) NPC1RAB9AALDH1A1HRH4SRC
SCHEMBL7127701 0.77 EGFR (0.54) SYK
SCHEMBL7123648 0.73 GRM5 (0.41) NPC1RAB9A
SCHEMBL7125950 0.71 MCHR1 (0.35) NPC1RAB9ASRCIRAK4
SCHEMBL7123672 0.70 MCHR1 (0.41) RAB9ASRCSMN1; SMN2
SCHEMBL5242363 0.70 NPC1 (0.42) NPC1RAB9AALDH1A1HPGDSRC

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-20030162795-A1 Thienopyrimidine and thienopyridine derivatives useful as anticancer agents PFIZER INC. 2003-08-28 US disclosed
US-6492383-B1 Thienopyrimidine and thienopyridine derivatives useful as anticancer agents PFIZER INC. 2002-12-10 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-20030162795-A1 Thienopyrimidine and thienopyridine derivatives useful as anticancer agents TYMP, DPYD, HPRT1 ERN1 2003/4885NPC1 2221/4885RAB9A 2707/4885

“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.