SCHEMBL17001172

SCHEMBL17001172

CCCN(CCO)c1ncncc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 3/20 0.40
▸ HTT P42858 3/20 0.39
▸ MAP3K5 Q99683 1/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ TP53 P04637 3/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ ATM Q13315 1/20 0.36
▸ AGTR1 P30556 1/20 0.35
▸ AGTR2 P50052 1/20 0.35
▸ PDE1B Q01064 1/20 0.34
▸ HSD17B10 Q99714 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HCAR3 P49019 1/20 0.33

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
SCHEMBL14229205 0.71 HTT (0.43) HTTMAP3K5MAPK1TP53SMN1; SMN2
SCHEMBL14229051 0.70 HTT (0.42) HTTMAP3K5MAPK1TP53SMN1; SMN2
SCHEMBL14228956 0.70 HTT (0.42) HTTMAP3K5MAPK1TP53SMN1; SMN2
SCHEMBL16132278 0.69 SLC29A1 (0.40) CRHR1SMN1; SMN2MAPTHCAR3POLB
SCHEMBL14200731 0.68 HTT (0.36) HTTMAP3K5TP53SMN1; SMN2NPC1
SCHEMBL14200744 0.67 HTT (0.35) HTTMAP3K5TP53SMN1; SMN2NPC1
SCHEMBL14229201 0.67 HTT (0.45) HTTMAP3K5MAPK1TP53SMN1; SMN2
SCHEMBL16664161 0.67 HCAR3 (0.44) CRHR1HTTLMNAALDH1A1HCAR3
SCHEMBL24861474 0.67 CHEK1 (0.38) MAPK1TP53LMNAMEN1KMT2A
SCHEMBL14229050 0.66 HTT (0.44) HTTMAP3K5MAPK1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150225410-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2015-08-13 — — 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-20150225410-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB CRHR1 4144/4885HTT 823/4885MAP3K5 53/4885

“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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