SCHEMBL5770451

SCHEMBL5770451

COc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
LMNA P02545 2/20 0.36
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
GLP1R P43220 1/20 0.34
HPGD P15428 1/20 0.34
C1R P00736 1/20 0.34
MAPK1 P28482 1/20 0.33
PDE2A O00408 1/20 0.33
NPBWR1 P48145 1/20 0.33
MCHR1 Q99705 1/20 0.33
KDM4E B2RXH2 2/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NFKB1 P19838 1/20 0.33

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
SCHEMBL15381367 0.75 MAPT (0.41) CDK4CCND1GLP1RHPGDPDE2A
SCHEMBL5769256 0.75 PARP1 (0.41) NPBWR1KDM4EKMT2AALDH1A1NFKB1
SCHEMBL24332931 0.75 KIF20B (0.38) CDK4CCND1LMNAGLP1RC1R
SCHEMBL604249 0.73 HRH4 (0.58) LMNAMAPK1KDM4EKMT2AALDH1A1
SCHEMBL18862126 0.73 SCN10A (0.38) LMNAGLP1RPDE2AKDM4EKMT2A
SCHEMBL18659782 0.73 GABRA2 (0.38) CDK4CCND1GLP1RHPGDPDE2A
SCHEMBL5775034 0.72 NPBWR1 (0.50) NPBWR1NFKB1NFKB2RELA
SCHEMBL3990956 0.72 KIF20B (0.37) CDK4CCND1GLP1RC1RKDM4E
SCHEMBL10284965 0.71 GAA (0.47) GLP1RPDE2AKDM4EKMT2A
SCHEMBL485433 0.70 KDM4E (0.36) LMNAGLP1RKDM4EKMT2ARAB9A

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
EP-1670774-A1 QUINOXALINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-21 EP disclosed
WO-2005033088-A1 QUINOXALINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2005-04-14 WO disclosed
US-20050070527-A1 For leukocyte recruitment inhibition, treating or preventing inflammation and H4 receptor-mediated conditions JANSSEN PHARMACEUTICA, N.V. (BE) 2005-03-31 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 (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-20050070527-A1 For leukocyte recruitment inhibition, treating or preventing inflammation and H4 receptor-mediated conditions HRH4, HRH3, LTB4R CDK4 1032/4885CCND1 4461/4885LMNA 3028/4885

“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.