SCHEMBL4208169

SCHEMBL4208169

[NH]C(=O)Nc1cnccn1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
RAB9A P51151 7/20 0.51
KDM4E B2RXH2 6/20 0.51
NPC1 O15118 5/20 0.51
MAPT P10636 2/20 0.50
TSHR P16473 1/20 0.50
TP53 P04637 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
POLB P06746 4/20 0.47
GAA P10253 1/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL5381046 0.83 KDM4E (0.69) KMT2ARAB9AKDM4ENPC1MAPT
SCHEMBL1934753 0.81 RAB9A (0.57) KMT2ARAB9AKDM4ENPC1MAPT
SCHEMBL30593991 0.81 RAB9A (0.57) KMT2ARAB9AKDM4ENPC1MAPT
SCHEMBL25097159 0.79 KMT2A (0.54) KMT2ARAB9AKDM4ENPC1MAPT
SCHEMBL4501507 0.79 KMT2A (0.46) KMT2ARAB9AKDM4ENPC1MAPT
SCHEMBL4237518 0.79 RAB9A (0.56) KMT2ARAB9AKDM4ENPC1MAPT
SCHEMBL5139472 0.79 KMT2A (0.54) KMT2ARAB9AKDM4ENPC1MAPT
SCHEMBL4692505 0.79 KMT2A (0.54) KMT2ARAB9AKDM4ENPC1MAPT
SCHEMBL11997717 0.79 KMT2A (0.50) KMT2ARAB9AKDM4ENPC1MAPT
SCHEMBL31536297 0.79 KMT2A (0.50) KMT2ARAB9AKDM4ENPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054396-A1 SUBSTITUTED THIOPHENES AND USES THEREOF ASTRAZENECA AB (SE) 2009-02-26 US disclosed
US-7423061-B2 Substitute thiophenes and uses thereof ASTRAZENECA AB (SE) 2008-09-09 US disclosed
US-20070010556-A1 Thiophene derivatives as chk 1 inhibitors ASTRAZENECA AB (SE) 2007-01-11 US disclosed
US-20060281666-A1 Substitute thiophenes and uses therof ASTRAZENECA AB (SE) 2006-12-14 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 (3 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 KMT2A 2078/4885RAB9A 2722/4885KDM4E 713/4885
US-20090054396-A1 SUBSTITUTED THIOPHENES AND USES THEREOF TPMT, ABCG2, TYMP KMT2A 2923/4885RAB9A 1828/4885KDM4E 1951/4885
US-20060281666-A1 Substitute thiophenes and uses therof TYMP, TPMT, MGMT KMT2A 3716/4885RAB9A 3255/4885KDM4E 3570/4885

“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.