SCHEMBL14045337

SCHEMBL14045337

Nc1ccc(CN2C=NCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
LMNA P02545 1/20 0.44
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
GFER P55789 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GBA1 P04062 2/20 0.36
LOXL2 Q9Y4K0 1/20 0.35
HTR6 P50406 2/20 0.34
CHRNA1 P02708 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
SIGMAR1 Q99720 2/20 0.33
HRH3 Q9Y5N1 1/20 0.32

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
Hydrochloric Acid SCHEMBL17968381 0.79 SIGMAR1 (0.47) LMNAGFERCYP3A4TSHRSIGMAR1
Hydrochloric Acid SCHEMBL956311 0.69 KMT2A (0.33)
SCHEMBL7510627 0.69 ALDH1A1 (0.66) ALDH1A1LMNACYP11B1CYP11B2GBA1
SCHEMBL10690328 0.69 LMNA (0.80) ALDH1A1LMNASIGMAR1HRH3
SCHEMBL7012343 0.67 CHRNA1 (0.50) ALDH1A1CHRNA1CHRNB2CHRNA3CHRNA7
SCHEMBL906627 0.66
SCHEMBL54966 0.66 ALDH1A1 (0.96) ALDH1A1LMNAHRH3
SCHEMBL3153045 0.66 ALDH1A1 (0.88) ALDH1A1LMNATDP1HRH3
SCHEMBL62541 0.64 ALDH1A1 (1.00) ALDH1A1LMNAHRH3
SCHEMBL10616916 0.64 ALDH1A1 (1.00) ALDH1A1LMNAHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269265-A1 Inhibition Of Raf Kinase Using Symmetrical And Unsymmetrical Substituted Diphenyl Ureas MILLER SCOTT 2008-10-30 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-20080269265-A1 Inhibition Of Raf Kinase Using Symmetrical And Unsymmetrical Substituted Diphenyl Ureas BRAF, RAF1, MAP2K2 ALDH1A1 2032/4885LMNA 4492/4885CYP11B1 3100/4885

“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.