SCHEMBL252955

SCHEMBL252955

O=C(Nc1ccsc1)c1ncccc1-n1ccnn1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.43
HCRTR2 O43614 1/20 0.41
KDM4E B2RXH2 1/20 0.38
ELANE P08246 1/20 0.36
HPGD P15428 1/20 0.36
AURKA O14965 1/20 0.36
AURKB Q96GD4 1/20 0.36
NAMPT P43490 1/20 0.36
MALT1 Q9UDY8 3/20 0.35
GRM4 Q14833 1/20 0.35
PIM1 P11309 2/20 0.35
PIM3 Q86V86 1/20 0.35
ATR Q13535 1/20 0.35
PRKCI P41743 1/20 0.34

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
SCHEMBL979251 0.85 ATR (0.50) HCRTR1HCRTR2KDM4EGRM4ATR
SCHEMBL16826513 0.82 HCRTR1 (0.42) HCRTR1HCRTR2KDM4EMALT1PIM1
SCHEMBL251660 0.81 NPC1 (0.51)
SCHEMBL18039131 0.74 HCRTR1 (0.44) HCRTR1HCRTR2KDM4EPIM1PIM3
SCHEMBL27652916 0.70 NPC1 (0.59) KDM4EGRM4
SCHEMBL252956 0.68 IKBKB (0.40)
SCHEMBL6429865 0.67 NPC1 (0.55) HCRTR1KDM4EHPGDPRKCI
Thiophene SCHEMBL28182304 0.64 NOTUM (0.44)
SCHEMBL2754381 0.64 MEN1 (0.61) HCRTR1KDM4E
SCHEMBL19520192 0.64 LMNA (0.69) NAMPTPIM1PIM3

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-8440665-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2013-05-14 US disclosed
US-20120004267-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2012-01-05 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-20120004267-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS AIFM1, MAP3K1, RIPK3 HCRTR1 2291/4885HCRTR2 3185/4885KDM4E 2886/4885

“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.