SCHEMBL16571704

SCHEMBL16571704

N=C(N)c1ccc(N)nn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 2/20 0.36
▸ MASP2 O00187 1/20 0.36
▸ PLAU P00749 1/20 0.36
▸ THPO P40225 1/20 0.36
▸ F2 P00734 2/20 0.34
▸ PRSS1 P07477 1/20 0.34
▸ APEX1 P27695 1/20 0.34
▸ PRSS3 P35030 1/20 0.34
▸ NNMT P40261 2/20 0.32
▸ BCAT2 O15382 1/20 0.32
▸ F10 P00742 1/20 0.32
▸ F12 P00748 1/20 0.32
▸ F7 P08709 1/20 0.32
▸ F3 P13726 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ NQO2 P16083 2/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ ALDH1A1 P00352 1/20 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
Hydrochloric Acid SCHEMBL17984670 0.98 PRSS1 (0.38) PRMT1MASP2PLAUTHPOF2
SCHEMBL24143947 0.74 ALDH1A1 (0.40) PRMT1MASP2PLAUTHPOF2
SCHEMBL18735817 0.74 NOS1 (0.36) PRMT1MASP2PLAUTHPOF2
SCHEMBL15149402 0.74 PRMT1 (0.32) PRMT1MASP2PLAUTHPOF2
SCHEMBL17150526 0.73 BCAT2 (0.38) BCAT2
Hydrochloric Acid SCHEMBL22042735 0.73 LMNA (0.40) PRMT1F2PRSS1APEX1PRSS3
SCHEMBL31490392 0.72 — —
SCHEMBL1255843 0.72 — —
SCHEMBL16571761 0.70 NPC1 (0.40) NNMTPKMSMN1; SMN2ALDH1A1
SCHEMBL14755700 0.70 NNMT (0.32) NNMT

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 PRMT1 1527/4885MASP2 1836/4885PLAU 946/4885

“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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