SCHEMBL4221659

SCHEMBL4221659

O=c1cnc(-c2ccc(Cl)cc2)n[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.49
NR1H3 Q13133 1/20 0.49
NOTUM Q6P988 3/20 0.43
RPA1 P27694 1/20 0.43
METAP2 P50579 1/20 0.43
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
ALPL P05186 2/20 0.41
EGFR P00533 1/20 0.41
RET P07949 1/20 0.41
KDR P35968 1/20 0.41
MAPK1 P28482 1/20 0.40
AKR1B1 P15121 1/20 0.40
DCUN1D1 Q96GG9 1/20 0.40
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
GAA P10253 3/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL7988538 0.81 NPC1 (0.52) METAP2RAB9ANPC1ALPLKDR
SCHEMBL11228851 0.81 HPGDS (0.56) NR1H2NR1H3RAB9ANPC1
SCHEMBL4201605 0.74 PARP1 (0.46) NOTUMMETAP2RAB9ANPC1AKR1B1
SCHEMBL11187134 0.71 NR1H2 (0.86) NR1H2NR1H3RAB9ANPC1ALPL
SCHEMBL27513000 0.71 NPC1 (0.55) NOTUMRPA1METAP2RAB9ANPC1
SCHEMBL4624829 0.70 NOTUM (0.52) NOTUMMETAP2RAB9ANPC1ALPL
SCHEMBL481916 0.69 LMNA (0.67) NOTUMMETAP2ALPLKDRAKR1B1
SCHEMBL6055038 0.69 DYRK1A (0.42) NR1H2NR1H3NOTUMRPA1METAP2
SCHEMBL28119259 0.69 NPC1 (0.60) NOTUMRPA1METAP2RAB9ANPC1
SCHEMBL444271 0.68 RPA1 (0.48) NR1H2NR1H3NOTUMRPA1METAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7494996-B2 Substituted 4,5-dihydro-1,2,4-triazin-6-ones, 1,2,4-triazin-6-ones and their use as fungicides and insecticides DOW AGROSCIENCES LLC (US) 2009-02-24 US disclosed
EP-1337150-A4 SUBSTITUTED 4,5-DIHYDRO-1,2,4-TRIAZIN-6-ONES, 1,2,4-TRIAZIN-6-ONES, AND THEIR USE AS FUNGICIDES AND INSECTICIDES DOW AGROSCIENCES LLC (US) 2007-09-26 EP disclosed
US-20040242580-A1 Substituted 4,5-dihydro-1,2,4-triazin-6-ones, 1,2,4-triazin-6-ones and their use as fungicides and insecticides KELLY MARTHA JEAN (US) 2004-12-02 US disclosed
CN-1474652-A Substituted 4,5-dihydro-1,2,4-triazin -6-ones, 1,2,4-triazin-6-ones, and their use as fungicides and insecticides �ݶ�ũ�����޹�˾ 2004-02-11 CN disclosed
EP-1337150-A2 SUBSTITUTED 4,5-DIHYDRO-1,2,4-TRIAZIN-6-ONES, 1,2,4-TRIAZIN-6-ONES, AND THEIR USE AS FUNGICIDES AND INSECTICIDES Dow AgroSciences LLC (US) 2003-08-27 EP disclosed
WO-2002067675-A2 SUBSTITUTED 4,5-DIHYDRO-1,2,4-TRIAZIN-6-ONES, 1,2,4-TRIAZIN-6-ONES, AND THEIR USE AS FUNGICIDES AND INSECTICIDES DOW AGROSCIENCES LLC (US) 2002-09-06 WO disclosed
US-4613603-A Compounds with a nitrogen-containing heterocyclic nucleus, and drugs in which they are present SANOFI (FR) 1986-09-23 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-20040242580-A1 Substituted 4,5-dihydro-1,2,4-triazin-6-ones, 1,2,4-triazin-6-ones and their use as fungicides and insecticides DDT, CYP4B1, CYP4X1 NR1H2 2139/4885NR1H3 2586/4885NOTUM 855/4885

“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.