SCHEMBL16571761

SCHEMBL16571761

CN(C)c1ccc(C(=N)N)nn1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ GRM5 P41594 1/20 0.36
▸ GAA P10253 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ NNMT P40261 1/20 0.32
▸ NCF1 P14598 1/20 0.31

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
SCHEMBL11637320 0.80 NNMT (0.53) NPC1RAB9AUSP2TP53PKM
SCHEMBL4278637 0.75 NPC1 (0.58) NPC1RAB9AUSP2TP53PKM
SCHEMBL11508947 0.73 NPC1 (0.46) NPC1RAB9AUSP2TP53PKM
SCHEMBL8139286 0.73 NPC1 (0.41) NPC1RAB9AUSP2TP53PKM
SCHEMBL18735817 0.72 NOS1 (0.36) PKMNNMT
SCHEMBL16571572 0.71 NCF1 (0.37) NPC1RAB9ASMN1; SMN2GAAALDH1A1
SCHEMBL16571704 0.70 PRMT1 (0.36) PKMSMN1; SMN2ALDH1A1NNMT
SCHEMBL24143947 0.68 ALDH1A1 (0.40) PKMGAAALDH1A1NNMT
Hydrochloric Acid SCHEMBL17984670 0.68 PRSS1 (0.38) PKMNNMT
SCHEMBL15149402 0.68 PRMT1 (0.32) PKMNNMT

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 5 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
EP-3046911-A1 HETEROCYCLIC SUBSTITUTED TRIFLUOROMETHYL PYRIMIDINONES AND USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2016-07-27 — — EP disclosed
WO-2015036560-A1 HETEROCYCLIC SUBSTITUTED TRIFLUOROMETHYL PYRIMIDINONES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-03-19 — — 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-20160237059-A1 HETEROCYCLIC SUBSTITUTED TRIFLUOROMETHYL PYRIMIDINONES AND THEIR USE REN, GLS, FIBP NPC1 2211/4885RAB9A 3015/4885USP2 3968/4885

“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.

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