SCHEMBL5551111

SCHEMBL5551111

O=C(Nc1cnccn1)Nc1sc(-c2cc[nH]c2)cc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.41
KDM4E B2RXH2 9/20 0.41
NPC1 O15118 6/20 0.40
KMT2A Q03164 4/20 0.40
POLB P06746 3/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 2/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
PTPN5 P54829 1/20 0.40
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 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
SCHEMBL5554755 0.86 NPC1 (0.55) RAB9AKDM4ENPC1KMT2APOLB
SCHEMBL5556402 0.86 KMT2A (0.46) RAB9AKDM4ENPC1KMT2APOLB
SCHEMBL5554739 0.85 RAB9A (0.48) RAB9AKDM4ENPC1KMT2APOLB
SCHEMBL5554752 0.84 KDM4E (0.40) RAB9AKDM4ENPC1KMT2APOLB
SCHEMBL5551156 0.84 RAB9A (0.42) RAB9AKDM4ENPC1KMT2APOLB
SCHEMBL5556418 0.83 KDM4E (0.56) RAB9AKDM4ENPC1KMT2APOLB
SCHEMBL5550907 0.83 KMT2A (0.56) RAB9AKDM4ENPC1KMT2APOLB
SCHEMBL5556386 0.81 KMT2A (0.46) RAB9AKDM4ENPC1KMT2APOLB
SCHEMBL5550841 0.81 POLB (0.42) RAB9AKDM4ENPC1KMT2APOLB
SCHEMBL1564437 0.81 CHEK1 (0.60)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070010556-A1 Thiophene derivatives as chk 1 inhibitors ASTRAZENECA AB (SE) 2007-01-11 US disclosed
EP-1732920-A2 THIOPHENE DERIVATIVES AS CHK 1 INHIBITORS AstraZeneca AB (SE) 2006-12-20 EP disclosed
WO-2005066163-A2 THIOPHENE DERIVATIVES AS CHK 1 INIHIBITORS ASTRAZENECA AB (SE) 2005-07-21 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-20070010556-A1 Thiophene derivatives as chk 1 inhibitors CHEK1, CHKA, CHEK2 RAB9A 2722/4885KDM4E 713/4885NPC1 543/4885

“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.