SCHEMBL4920766

SCHEMBL4920766

CCCN1Cc2nc3c(-c4cccnc4OCC)cccc3c(N)c2C1=O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ PDE1B Q01064 11/20 0.36
▸ PDE1A P54750 10/20 0.36
▸ LMNA P02545 1/20 0.35
▸ PARP1 P09874 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ PARP2 Q9UGN5 1/20 0.35
▸ PDE1C Q14123 9/20 0.35
▸ METAP2 P50579 1/20 0.33
▸ ATR Q13535 1/20 0.32
▸ ATRIP Q8WXE1 1/20 0.32
▸ USP1 O94782 1/20 0.32
▸ ALOX5AP P20292 1/20 0.32

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
SCHEMBL4922433 0.93 PIK3CA (0.36) NPC1TP53MAPTRAB9ASMN1; SMN2
SCHEMBL4919219 0.87 HTT (0.36) NPC1TP53MAPTRAB9ASMN1; SMN2
SCHEMBL4921479 0.87 PIK3CA (0.35) NPC1TP53MAPTRAB9ASMN1; SMN2
SCHEMBL2658389 0.87 GRM1 (0.38) NPC1TP53MAPTRAB9ASMN1; SMN2
SCHEMBL2656785 0.85 PIK3CA (0.37) NPC1TP53MAPTRAB9ASMN1; SMN2
SCHEMBL2660637 0.83 LMNA (0.38) SMN1; SMN2LMNAPARP1HTTPARP2
SCHEMBL2660334 0.83 PIK3CA (0.39) NPC1TP53MAPTRAB9ASMN1; SMN2
SCHEMBL2660720 0.82 GABRG2 (0.35) NPC1TP53MAPTRAB9ASMN1; SMN2
SCHEMBL2655626 0.82 BRD9 (0.43) TP53MAPTLMNAPARP1HTT
SCHEMBL2660780 0.82 GABRG2 (0.42) SMN1; SMN2LMNAPARP1HTTPARP2

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-20080318943-A1 Compounds and Uses Thereof - 848 ASTRAZENECA AB (SE) 2008-12-25 — — US claimed
US-20080318943-A1 Compounds and Uses Thereof - 848 ASTRAZENECA AB (SE) 2008-12-25 — — 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-20080318943-A1 Compounds and Uses Thereof - 848 COMT, BACE1, BDNF NPC1 3293/4885TP53 1103/4885MAPT 4/4885

“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.

Send feedback