SCHEMBL3849119

SCHEMBL3849119

Nc1nc(SCc2cccc(C(F)(F)F)c2)nc(SCc2cccc(C(F)(F)F)c2F)c1N

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
CDC7 O00311 1/20 0.41
DBF4 Q9UBU7 1/20 0.41
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
KDM1A O60341 1/20 0.39
HTR2A P28223 4/20 0.39
HTR2C P28335 4/20 0.39
TOP2A P11388 3/20 0.37
DAO P14920 2/20 0.36
EPHX1 P07099 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL5497236 0.75 CXCR2 (0.49)
SCHEMBL5491796 0.73 CXCR2 (0.45) ALDH1A1
SCHEMBL490121 0.71 KDM1A (0.38) RAB9ANPC1KDM1ATOP2A
SCHEMBL490136 0.71 KDM1A (0.38) KDM1ATOP2A
SCHEMBL5494013 0.70 RAB9A (0.60) CDC7DBF4RAB9ANPC1ALDH1A1
SCHEMBL6645041 0.68 RAB9A (0.56) KDM4ECDC7DBF4RAB9ANPC1
SCHEMBL6642566 0.68 RAB9A (0.56) KDM4ERAB9ANPC1KDM1ADAO
SCHEMBL3852995 0.68 CXCR2 (0.49)
SCHEMBL14049993 0.67 RECQL (0.53) KDM4ECDC7DBF4RAB9AKDM1A
SCHEMBL8132320 0.66 RAB9A (0.53) KDM4ERAB9ANPC1KDM1AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579342-B2 Pteridine compounds for the treatment of psoriasis ASTRAZENECA (SE) 2009-08-25 US disclosed
US-20050171345-A1 Pteridine compounds for the treatment of psoriasis ASTRAZENECA AB, A SWEDEN CORPORATION 2005-08-04 US disclosed
US-6875868-B2 Pteridine compounds for the treatment of psoriasis ASTRAZENECA AB (SE) 2005-04-05 US disclosed
EP-1259512-B1 PTERIDINE COMPOUNDS FOR THE TREATMENT OF PSORIASIS ASTRAZENECA AB (SE) 2003-09-24 EP disclosed
US-20030055250-A1 Pteridine compounds for the treatment of psoriasis ASTRAZENECA AB (SE) 2003-03-20 US disclosed
EP-1259512-A1 PTERIDINE COMPOUNDS FOR THE TREATMENT OF PSORIASIS AstraZeneca AB (SE) 2002-11-27 EP disclosed
WO-2001062758-A1 PTERIDINE COMPOUNDS FOR THE TREATMENT OF PSORIASIS ASTRAZENECA AB (SE) 2001-08-30 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 (2 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-20030055250-A1 Pteridine compounds for the treatment of psoriasis DHFR, NAMPT, HPRT1 KDM4E 819/4885CDC7 2830/4885DBF4 3287/4885
US-20050171345-A1 Pteridine compounds for the treatment of psoriasis DHFR, NAMPT, HPRT1 KDM4E 819/4885CDC7 2830/4885DBF4 3287/4885

“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.