SCHEMBL4556701

SCHEMBL4556701

c1cnc(-c2cscn2)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 2/20 0.43
KDM4B O94953 2/20 0.43
KDM5C P41229 2/20 0.43
KDM5B Q9UGL1 2/20 0.43
METAP1 P53582 4/20 0.39
TSHR P16473 2/20 0.39
METAP2 P50579 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.39
FKBP1A P62942 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL7964249 0.78 TSHR (0.50) KDM4AKDM4BKDM5CKDM5BMETAP1
SCHEMBL16720341 0.76 KDM4A (0.37) KDM4AKDM4BKDM5CKDM5BMETAP1
SCHEMBL1743331 0.75 KDM4E (0.61) KDM4AKDM4BKDM5CKDM5BMETAP1
SCHEMBL534231 0.74 KDM4A (0.37) KDM4AKDM4BKDM5CKDM5BMETAP1
SCHEMBL1849188 0.72 MECP2 (0.43) TSHRKDM4ENPC1TP53RAB9A
SCHEMBL1555299 0.71 KDM4A (0.37) KDM4AKDM4BKDM5CKDM5BMETAP1
SCHEMBL27199211 0.70 LRRK2 (0.34) KDM4AKDM4BKDM5CKDM5BMETAP1
SCHEMBL14994553 0.70 METAP1 (0.33) KDM4AKDM4BKDM5CKDM5BMETAP1
SCHEMBL4533718 0.69 CASP6 (0.45) KDM4AKDM4BKDM5CKDM5BMETAP1
SCHEMBL21091024 0.69 CASP6 (0.45) KDM4AKDM4BKDM5CKDM5BMETAP1

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
CN-105051019-B Compound, electron transport material, and organic electroluminescent element using the electron transport material 捷恩智株式会社 2018-06-12 CN disclosed
US-8481521-B2 Methods of treating cell proliferative disorders RIGEL PHARMACEUTICALS, INC. (US) 2013-07-09 US disclosed
US-20120245127-A1 Methods of Treating Cell Proliferative Disorders RIGEL PHARMACEUTICALS, INC. (US) 2012-09-27 US disclosed
US-8227455-B2 Methods of treating cell proliferative disorders RIGEL PHARMACEUTICALS, INC. (US) 2012-07-24 US disclosed
US-7576053-B2 treating osteoporosis caused by imbalance of osteoclast and osteoblast activity, glandular disorders with a Syk kinase inhibitor a 2,4-pyrimidinediamine compound; alendronate, calcitonin, estrogen and selective estrogen receptor modulators; side effect reduction RIGEL PHARMACEUTICALS, INC. (US) 2009-08-18 US disclosed
EP-1896134-A2 METHODS AND COMPOSITIONS FOR TREATING DEGENERATIVE BONE DISORDERS Rigel Pharmaceuticals, Inc. (US) 2008-03-12 EP disclosed
US-20070004626-A1 Methods and compositions for treating degenerative bone disorders RIGEL PHARMACEUTICALS, INC. (US) 2007-01-04 US disclosed
WO-2006135915-A2 METHODS AND COMPOSITIONS FOR TREATING DEGENERATIVE BONE DISORDERS RIGEL PHARMACEUTICALS, INC. (US) 2006-12-21 WO disclosed
US-20060276459-A1 Methods of treating cell proliferative disorders RIGEL PHARMACEUTICALS, INC. (US) 2006-12-07 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-20060276459-A1 Methods of treating cell proliferative disorders MKI67, SYK, TP53 KDM4A 1187/4885KDM4B 1438/4885KDM5C 1262/4885
US-20120245127-A1 Methods of Treating Cell Proliferative Disorders MKI67, SYK, TP53 KDM4A 1187/4885KDM4B 1438/4885KDM5C 1262/4885
US-20070004626-A1 Methods and compositions for treating degenerative bone disorders SYK, TRAF6, BTK KDM4A 1538/4885KDM4B 1488/4885KDM5C 680/4885

“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.