SCHEMBL17984645

SCHEMBL17984645

N=C(N)c1nsc(Cl)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.42
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
KDM4E B2RXH2 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
PKM P14618 1/20 0.31
RXFP1 Q9HBX9 2/20 0.30

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
SCHEMBL13983002 0.70 HPGD (0.43) HPGDNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL6112098 0.70 HPGD (0.52) HPGDNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL11450553 0.67
SCHEMBL952325 0.64 ALDH1A1 (0.56) HPGDNPC1RAB9AKDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL690424 0.61 LMNA (0.34) LMNA
SCHEMBL452750 0.61
SCHEMBL14184756 0.57
Guanidine SCHEMBL28662394 0.54
SCHEMBL13948237 0.47 F2 (0.32) LMNAPKM
Guanidine SCHEMBL9794411 0.45

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
US-20160237059-A1 HETEROCYCLIC SUBSTITUTED TRIFLUOROMETHYL PYRIMIDINONES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-08-18 US disclosed
US-20160237059-A1 HETEROCYCLIC SUBSTITUTED TRIFLUOROMETHYL PYRIMIDINONES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-08-18 US disclosed
US-20160237059-A1 HETEROCYCLIC SUBSTITUTED TRIFLUOROMETHYL PYRIMIDINONES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-08-18 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-20160237059-A1 HETEROCYCLIC SUBSTITUTED TRIFLUOROMETHYL PYRIMIDINONES AND THEIR USE REN, GLS, FIBP HPGD 232/4885NPC1 2211/4885RAB9A 3015/4885

“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.