SCHEMBL18439079

SCHEMBL18439079

O=c1[nH]ccc2nc(-c3ccc(Cl)cc3)cn12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP2K1 Q02750 2/20 0.74
▸ NPC1 O15118 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ XDH P47989 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ ALDH1A3 P47895 1/20 0.42
▸ PIM1 P11309 2/20 0.41
▸ CSNK1D P48730 2/20 0.41
▸ CLK2 P49760 2/20 0.41
▸ STK3 Q13188 2/20 0.41
▸ CLK4 Q9HAZ1 2/20 0.41
▸ MAPK13 O15264 1/20 0.41
▸ DYRK3 O43781 1/20 0.41
▸ MAP4K4 O95819 1/20 0.41
▸ FYN P06241 1/20 0.41
▸ FGFR1 P11362 1/20 0.41
▸ SRC P12931 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ BLK P51451 1/20 0.41
▸ CSNK2A1 P68400 1/20 0.41

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
SCHEMBL18439072 0.85 MAP2K1 (0.74) MAP2K1NPC1RAB9AXDHALDH1A1
SCHEMBL18439955 0.85 MAP2K1 (0.74) MAP2K1NPC1RAB9AXDHALDH1A1
SCHEMBL4145521 0.84 MAP2K1 (1.00) MAP2K1NPC1RAB9AXDHALDH1A1
SCHEMBL10868011 0.81 MAP2K1 (0.68) MAP2K1NPC1RAB9AALDH1A1ALDH1A3
SCHEMBL18439066 0.81 MAP2K1 (0.68) MAP2K1NPC1RAB9AXDHALDH1A1
SCHEMBL18439808 0.81 MAP2K1 (0.68) MAP2K1NPC1RAB9AXDHALDH1A1
SCHEMBL18439068 0.81 MAP2K1 (0.68) MAP2K1NPC1RAB9AXDHALDH1A1
SCHEMBL10866639 0.80 MAP2K1 (0.67) MAP2K1NPC1RAB9AXDHALDH1A1
SCHEMBL18439076 0.80 MAP2K1 (0.67) MAP2K1NPC1RAB9AALDH1A1MAPT
SCHEMBL10867307 0.77 MAP2K1 (0.62) MAP2K1NPC1RAB9AALDH1A1MAPT

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-10626115-B2 Fused pyrimidinone and triazinone derivatives containing bridged nitrogen, their process of preparation and their therapeutic uses as antifungal and/or antiparasitic agents UNIVERSITE DE NANTES (FR) 2020-04-21 — — US disclosed
US-20190002467-A1 NOVEL FUSED PYRIMIDINONE AND TRIAZINONE DERIVATIVES CONTAINING BRIDGED NITROGEN, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTIC USES AS ANTIFUNGAL AND/OR ANTIPARASITIC AGENTS UNIVERSITE DE NANTES (FR) 2019-01-03 — — US disclosed
EP-3328862-A1 NOVEL FUSED PYRIMIDINONE AND TRIAZINONE DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTIC USES AS ANTIFUNGAL AND/OR ANTIPARASITIC AGENTS. Universite de Nantes (FR) 2018-06-06 — — EP disclosed
WO-2017021178-A1 NOVEL FUSED PYRIMIDINONE AND TRIAZINONE DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTIC USES AS ANTIFUNGAL AND/OR ANTIPARASITIC AGENTS. UNIVERSITE DE NANTES (FR) 2017-02-09 — — WO disclosed
WO-2017020944-A1 NOVEL FUSED PYRIMIDINONE AND TRIAZINONE DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTIC USES AS ANTIFUNGAL AND/OR ANTIPARASITIC AGENTS UNIVERSITE DE NANTES (FR) 2017-02-09 — — WO disclosed
WO-2017020944-A1 NOVEL FUSED PYRIMIDINONE AND TRIAZINONE DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTIC USES AS ANTIFUNGAL AND/OR ANTIPARASITIC AGENTS UNIVERSITE DE NANTES (FR) 2017-02-09 — — WO disclosed
WO-2017021178-A1 NOVEL FUSED PYRIMIDINONE AND TRIAZINONE DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTIC USES AS ANTIFUNGAL AND/OR ANTIPARASITIC AGENTS. UNIVERSITE DE NANTES (FR) 2017-02-09 — — 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 (2 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-10626115-B2 Fused pyrimidinone and triazinone derivatives containing bridged nitrogen, their process of preparation and their therapeutic uses as antifungal and/or antiparasitic agents DHFR, SAMHD1, TYMP MAP2K1 980/4885NPC1 1385/4885RAB9A 2336/4885
US-20190002467-A1 NOVEL FUSED PYRIMIDINONE AND TRIAZINONE DERIVATIVES CONTAINING BRIDGED NITROGEN, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTIC USES AS ANTIFUNGAL AND/OR ANTIPARASITIC AGENTS SAMHD1, DHFR, TYMP MAP2K1 1232/4885NPC1 1252/4885RAB9A 2056/4885

“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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