SCHEMBL5384616

SCHEMBL5384616

Clc1nccc(N(CCCN2CCOCC2)c2ccccc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.43
POLB P06746 2/20 0.43
LMNA P02545 4/20 0.41
HTR7 P34969 1/20 0.41
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
RAD52 P43351 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HTT P42858 2/20 0.39

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
SCHEMBL13305331 0.81 SIGMAR1 (0.58) SIGMAR1POLBHTR7KMT2AKDM4E
SCHEMBL13305351 0.77 SIGMAR1 (0.57) SIGMAR1POLBHTR7HSD17B10
SCHEMBL15277756 0.77 ALDH1A1 (0.39) SIGMAR1POLBLMNAKMT2AKDM4E
SCHEMBL5388328 0.76 DHFR (0.51) LMNAKMT2ANPC1RAB9AALDH1A1
SCHEMBL6100741 0.75 FGFR1 (0.40) LMNAKMT2AKDM4ENPC1RAB9A
SCHEMBL5393767 0.72 KCNH2 (0.41) KMT2ANPC1RAB9AALDH1A1CYP1A2
SCHEMBL7501244 0.71 DHFR (0.46) KDM4ENPSR1ALDH1A1CYP1A2CYP2D6
SCHEMBL10812404 0.70 CYP1A2 (0.54) SIGMAR1POLBKMT2AKDM4ENPC1
SCHEMBL5388416 0.70 CYP1A2 (0.37) LMNAKMT2AGAAALDH1A1CYP1A2
SCHEMBL4085131 0.69 CYP3A4 (0.58) SIGMAR1POLBLMNAKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7176212-B2 2,4-diamino pyrimidine compounds having anti-cell proliferative activity ASTRAZENECA AB (SE) 2007-02-13 US disclosed
EP-1107957-B1 PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2006-10-18 EP disclosed
US-20050090493-A1 2,4-Diamino pyrimidine compounds having anti-cell proliferative activity ASTRAZENECA AB 2005-04-28 US disclosed
EP-1107957-A1 PYRIMIDINE COMPOUNDS AstraZeneca AB (SE) 2001-06-20 EP disclosed
WO-2000012485-A1 PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2000-03-09 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-20050090493-A1 2,4-Diamino pyrimidine compounds having anti-cell proliferative activity H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-3, H1-0 SIGMAR1 1109/4885POLB 162/4885LMNA 940/4885

“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.