SCHEMBL3871502

SCHEMBL3871502

Oc1[nH]c2ccccc2c1-c1cc(NCCCN2CCOCC2)c2ccccc2n1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 13/20 0.69
KDM4E B2RXH2 1/20 0.54
NPC1 O15118 1/20 0.54
LMNA P02545 1/20 0.54
GLA P06280 1/20 0.54
POLB P06746 1/20 0.54
GAA P10253 1/20 0.54
RAD52 P43351 1/20 0.54
RAB9A P51151 1/20 0.54
KMT2A Q03164 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
TERT O14746 1/20 0.49
TP53 P04637 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
PDE10A Q9Y233 1/20 0.49

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
SCHEMBL3875233 0.94 ACP1 (0.68) ACP1KDM4ENPC1LMNAGLA
SCHEMBL3864574 0.84 ACP1 (0.54) ACP1TERT
SCHEMBL3870377 0.78 ACP1 (0.54) ACP1LMNAKMT2AMAPK1PDE10A
SCHEMBL3865437 0.77 PDE10A (0.43) ACP1PDE10A
SCHEMBL3870114 0.76 METAP1 (0.58) KDM4ENPC1LMNAPOLBGAA
SCHEMBL3878115 0.76 ACP1 (0.52) ACP1POLBRAD52RAB9AKMT2A
SCHEMBL17651549 0.76 ACP1 (1.00) ACP1LMNAKMT2APDE10A
SCHEMBL30457841 0.76 ACP1 (1.00) ACP1LMNAKMT2APDE10A
SCHEMBL23015141 0.76 ACP1 (0.82) ACP1KDM4EPOLB
SCHEMBL29636831 0.76 ACP1 (0.82) ACP1KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572914-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-08-11 US claimed
EP-1694686-A1 KINASE INHIBITORS Takeda San Diego, Inc. (US) 2006-08-30 EP claimed
US-20050153966-A1 Kinase inhibitors SYRRX, INC. 2005-07-14 US claimed
WO-2005061519-A1 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2005-07-07 WO claimed
US-7572914-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-08-11 US disclosed
US-7572914-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-08-11 US disclosed
EP-1694686-A1 KINASE INHIBITORS Takeda San Diego, Inc. (US) 2006-08-30 EP disclosed
US-20050153966-A1 Kinase inhibitors SYRRX, INC. 2005-07-14 US disclosed
WO-2005061519-A1 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2005-07-07 WO 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-20050153966-A1 Kinase inhibitors MAP3K1, MAP3K20, MAP3K2 ACP1 296/4885KDM4E 1076/4885NPC1 3485/4885

“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.