SCHEMBL2194571

SCHEMBL2194571

N#Cc1ccnc(NCc2cccc(F)c2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.61
KDM4C Q9H3R0 1/20 0.61
KDM5B Q9UGL1 1/20 0.61
NTRK1 P04629 1/20 0.54
NTRK3 Q16288 1/20 0.54
NTRK2 Q16620 1/20 0.54
CYP1A2 P05177 7/20 0.51
CYP2C19 P33261 7/20 0.51
CLK4 Q9HAZ1 7/20 0.51
CYP3A4 P08684 5/20 0.51
CYP2D6 P10635 4/20 0.51
LMNA P02545 2/20 0.51
HSD17B10 Q99714 5/20 0.50
ALDH1A1 P00352 5/20 0.50
TSHR P16473 3/20 0.50
USP2 O75604 2/20 0.50
ALOX15 P16050 2/20 0.50
CYP2C9 P11712 2/20 0.50
TP53 P04637 1/20 0.50
MAPK1 P28482 3/20 0.49

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
SCHEMBL27304412 0.82 NTRK1 (0.61) KDM5AKDM4CKDM5BNTRK1NTRK3
SCHEMBL34462781 0.80 CLK4 (0.56) CYP1A2CYP2C19CLK4CYP3A4CYP2D6
SCHEMBL1192209 0.78 NTRK1 (0.49) KDM5AKDM4CKDM5BNTRK1NTRK3
SCHEMBL29580072 0.78 FABP1 (0.67) KDM5AKDM4CKDM5BNTRK1NTRK3
SCHEMBL6301756 0.77 FABP1 (0.61) NTRK1NTRK3NTRK2CYP1A2CYP2C19
SCHEMBL993605 0.77 EGLN2 (0.58) NTRK1NTRK3NTRK2CYP3A4LMNA
SCHEMBL3957462 0.75 ALDH1A1 (0.68) KDM5AKDM4CKDM5BNTRK1NTRK3
SCHEMBL4935560 0.75 GRM5 (0.49) CYP1A2GABRG2GABRB3GABRA5GABRA3
SCHEMBL28257164 0.72 APP (0.51) KDM5AKDM4CKDM5BNTRK1NTRK3
SCHEMBL4778987 0.72 KDM5A (0.51) KDM5AKDM4CKDM5BNTRK1NTRK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110172230-A1 UREA COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-07-14 US disclosed
EP-2065369-A1 UREA COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2009-06-03 EP 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-20110172230-A1 UREA COMPOUND OR SALT THEREOF FAAH, FAAH2, UTS2R KDM5A 301/4885KDM4C 448/4885KDM5B 304/4885

“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.