SCHEMBL1901332

SCHEMBL1901332

COc1ccc(CCNc2nc(C)nc3sc(C)c(C)c23)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.61
▸ SMN1; SMN2 Q16637 4/20 0.61
▸ HTT P42858 3/20 0.61
▸ NPC1 O15118 2/20 0.53
▸ GALR3 O60755 2/20 0.53
▸ NR2F2 P24468 2/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ MAPK1 P28482 3/20 0.52
▸ TSHR P16473 2/20 0.52
▸ MAPT P10636 2/20 0.52
▸ TP53 P04637 1/20 0.52
▸ KMT2A Q03164 2/20 0.49
▸ RXFP1 Q9HBX9 2/20 0.49
▸ GAA P10253 1/20 0.49
▸ APP P05067 3/20 0.48
▸ BCHE P06276 1/20 0.48
▸ ACHE P22303 1/20 0.48
▸ ATM Q13315 2/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ POLB P06746 1/20 0.48

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
SCHEMBL13165084 0.84 NR2F2 (0.67) LMNASMN1; SMN2HTTNPC1GALR3
SCHEMBL5442987 0.81 NPC1 (0.71) LMNASMN1; SMN2HTTNPC1GALR3
SCHEMBL20667975 0.80 HTT (0.69) LMNASMN1; SMN2HTTMAPK1RXFP1
SCHEMBL5432213 0.78 NPC1 (0.56) LMNASMN1; SMN2HTTNPC1GALR3
SCHEMBL5129494 0.78 ESR1 (0.47) LMNASMN1; SMN2NPC1RAB9ATSHR
SCHEMBL7173306 0.74 ESR1 (0.44) LMNASMN1; SMN2NPC1RAB9ATSHR
SCHEMBL5121900 0.74 PRKCI (0.60) LMNAKMT2ARXFP1GAABCHE
SCHEMBL5435548 0.72 NPC1 (0.59) LMNASMN1; SMN2HTTNPC1GALR3
SCHEMBL27675451 0.72 GAA (0.43) LMNASMN1; SMN2MAPK1KMT2ARXFP1
SCHEMBL5127812 0.72 MEN1 (0.42) LMNANPC1RAB9ATSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2320904-A2 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE Kalypsys, Inc. (US) 2011-05-18 — — EP disclosed
WO-2010030757-A2 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS INC. (US) 2010-03-18 — — WO disclosed
WO-2010030757-A2 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS INC. (US) 2010-03-18 — — WO disclosed
US-20100063047-A1 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-03-11 — — US disclosed
US-20100063047-A1 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-03-11 — — US disclosed
US-20100063047-A1 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-03-11 — — 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-20100063047-A1 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH2, HRH3 LMNA 4824/4885SMN1; SMN2 4740/4885HTT 383/4885

“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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