SCHEMBL214629

SCHEMBL214629

Cc1ccc(Br)cc1-n1cnc(C(N)=O)c1C(=O)Nc1nc2cc(OCCCN3CCOCC3)ccc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.39
CHUK O15111 2/20 0.38
INSR P06213 2/20 0.38
MAPK8 P45983 2/20 0.38
CAMKK2 Q96RR4 2/20 0.38
FGFR1 P11362 2/20 0.38
SRC P12931 2/20 0.38
DHODH Q02127 1/20 0.38
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MIF P14174 1/20 0.37
AVPR1B P47901 5/20 0.37
KDR P35968 1/20 0.37
AURKA O14965 1/20 0.36
AURKB Q96GD4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
NR1I2 O75469 1/20 0.36

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
SCHEMBL213923 0.94 CHEK2 (0.41) HRH3DHODHMEN1KMT2AKDM4E
SCHEMBL213820 0.93 HRH4 (0.39) HRH3AVPR1B
SCHEMBL213243 0.93 CHEK2 (0.35) MEN1KMT2AKDM4EAURKAAURKB
SCHEMBL213684 0.93 ITGB3 (0.38) AVPR1B
Hydrochloric Acid SCHEMBL213174 0.92 ITGB3 (0.39) AVPR1B
SCHEMBL216098 0.90 KCNA5 (0.37) CHUKINSRMAPK8CAMKK2FGFR1
SCHEMBL213710 0.89 ITGB3 (0.37) CHUKINSRMAPK8CAMKK2MEN1
SCHEMBL215870 0.89 CHEK2 (0.45) FGFR1MEN1KMT2AKDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL213384 0.89 ITGB3 (0.38) CHUKINSRMAPK8CAMKK2MEN1
SCHEMBL215365 0.86 CHEK2 (0.44) DHODHMEN1KMT2AKDM4ESMN1; SMN2

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-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP disclosed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 HRH3 1553/4885CHUK 79/4885INSR 1890/4885

“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.