SCHEMBL20329029

SCHEMBL20329029

Cc1c(Cl)cccc1-c1nc2c(s1)CCCC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 7/20 0.47
CD274 Q9NZQ7 7/20 0.47
ALDH1A1 P00352 4/20 0.45
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.45
MAPT P10636 3/20 0.45
LMNA P02545 2/20 0.45
GAA P10253 2/20 0.45
HPGD P15428 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
KDM4E B2RXH2 2/20 0.45
GLA P06280 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KMT2A Q03164 3/20 0.43
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.42
MEN1 O00255 2/20 0.41
CYP1A2 P05177 1/20 0.41
F2RL3 Q96RI0 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
SCHEMBL408305 0.85 ALDH1A1 (0.52) PDCD1CD274ALDH1A1RAB9ANPC1
SCHEMBL20324274 0.81 PDCD1 (0.66) PDCD1CD274
SCHEMBL29690179 0.75 PDCD1 (0.38) PDCD1CD274ALDH1A1RAB9ANPC1
SCHEMBL20329030 0.75 NPC1 (0.41) PDCD1CD274ALDH1A1RAB9ANPC1
SCHEMBL31711064 0.73 HTR2C (0.45) PDCD1CD274RAB9ANPC1
SCHEMBL6223472 0.73 ALDH1A1 (0.49) PDCD1CD274ALDH1A1RAB9ANPC1
SCHEMBL20329015 0.72 PDCD1 (0.56) PDCD1CD274
SCHEMBL12731740 0.71 ALDH1A1 (0.38) PDCD1CD274ALDH1A1RAB9ANPC1
SCHEMBL19549674 0.71 GRAMD1A (0.47) PDCD1CD274RAB9ANPC1MAPT
SCHEMBL30740239 0.71 GRAMD1A (0.47) PDCD1CD274RAB9ANPC1MAPT

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-11787793-B2 Heterocyclic compounds as immunomodulators INCYTE CORPORATION (US) 2023-10-17 US disclosed
US-20180179197-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION 2018-06-28 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 (2 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-11787793-B2 Heterocyclic compounds as immunomodulators CD74, IL2, ICOS PDCD1 157/4885CD274 88/4885ALDH1A1 223/4885
US-20180179197-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS CD74, IL2, ICOS PDCD1 157/4885CD274 88/4885ALDH1A1 223/4885

“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.