SCHEMBL14480149

SCHEMBL14480149

O=[C]Oc1cc(OC(F)(F)F)ccn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 1/20 0.35
▸ RAF1 P04049 1/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ NPC1 O15118 3/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ ABL1 P00519 3/20 0.33
▸ CHRM5 P08912 1/20 0.33
▸ CES1 P23141 1/20 0.33
▸ DYRK1A Q13627 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ SLC40A1 Q9NP59 1/20 0.33
▸ RUNX1 Q01196 1/20 0.33
▸ CBFB Q13951 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ GMNN O75496 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 1/20 0.33

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
SCHEMBL29177223 0.78 PIM1 (0.38) RAF1EPHX2NPC1RAB9AABL1
SCHEMBL2091933 0.72 FFAR1 (0.40) GPR3HTTGAAALOX15
SCHEMBL28947645 0.71 GPR3 (0.41) GPR3RAF1EPHX2NPC1RAB9A
SCHEMBL2093875 0.70 GPR3 (0.35) GPR3EPHX2CES1
SCHEMBL514130 0.70 EPHX2 (0.47) GPR3EPHX2CES1SMN1; SMN2MEN1
SCHEMBL2092354 0.70 MRGPRX4 (0.48) GPR3CES1CYP2C9SCN5ASCN9A
SCHEMBL23213556 0.69 NOS3 (0.57) GPR3NPC1RAB9AABL1DYRK1A
SCHEMBL12368117 0.69 DYRK1A (0.45) GPR3RAF1EPHX2NPC1RAB9A
SCHEMBL2305198 0.69 GPR3 (0.40) GPR3RAF1EPHX2NPC1RAB9A
SCHEMBL2303464 0.69 GPR3 (0.40) GPR3RAF1EPHX2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2719688-B1 Process for producing tetrazolyloxime derivatives NIPPON SODA CO (JP) 2016-07-20 — — EP disclosed
EP-2719686-B1 Process to halogenate a picoline derivative NIPPON SODA CO (JP) 2015-12-02 — — EP disclosed
EP-2719687-B1 Process to make a bromopicoline derivative NIPPON SODA CO (JP) 2015-09-16 — — EP disclosed
US-9018385-B2 Compound containing pyridine ring and method for producing halogenated picoline derivative and tetrazolyloxime derivative NIPPON SODA CO., LTD. (JP) 2015-04-28 — — US disclosed
US-9012653-B2 Compound containing pyridine ring and method for producing halogenated picoline derivative and tetrazolyloxime derivative NIPPON SODA CO., LTD. (JP) 2015-04-21 — — US disclosed
US-9000178-B2 Compound containing pyridine ring and method for producing halogenated picoline derivative and tetrazolyloxime derivative NIPPON SODA CO., LTD. (JP) 2015-04-07 — — US disclosed
US-8962848-B2 Compound containing pyridine ring and method for producing halogenated picoline derivative and tetrazolyloxime derivative NIPPON SODA CO., LTD. (JP) 2015-02-24 — — US disclosed
US-8841458-B2 Compound containing pyridine ring and method for producing halogenated picoline derivative and tetrazolyloxime derivative NIPPON SODA CO., LTD. (JP) 2014-09-23 — — US disclosed
US-20140155611-A1 COMPOUND CONTAINING PYRIDINE RING AND METHOD FOR PRODUCING HALOGENATED PICOLINE DERIVATIVE AND TETRAZOLYLOXIME DERIVATIVE NIPPON SODA CO., LTD. (JP) 2014-06-05 — — US disclosed
US-20140155612-A1 COMPOUND CONTAINING PYRIDINE RING AND METHOD FOR PRODUCING HALOGENATED PICOLINE DERIVATIVE AND TETRAZOLYLOXIME DERIVATIVE NIPPON SODA CO., LTD. (JP) 2014-06-05 — — US disclosed
US-20140155615-A1 COMPOUND CONTAINING PYRIDINE RING AND METHOD FOR PRODUCING HALOGENATED PICOLINE DERIVATIVE AND TETRAZOLYLOXIME DERIVATIVE NIPPON SODA CO., LTD. (JP) 2014-06-05 — — US disclosed
US-20140155613-A1 COMPOUND CONTAINING PYRIDINE RING AND METHOD FOR PRODUCING HALOGENATED PICOLINE DERIVATIVE AND TETRAZOLYLOXIME DERIVATIVE NIPPON SODA CO., LTD. (JP) 2014-06-05 — — US disclosed
EP-2719687-A1 Process to make a bromopicoline derivative NIPPON SODA CO., LTD. (JP) 2014-04-16 — — EP disclosed
EP-2719688-A1 Process for producing tetrazolyloxime derivatives NIPPON SODA CO., LTD. (JP) 2014-04-16 — — EP disclosed
EP-2719686-A1 Process to halogenate a picoline derivative NIPPON SODA CO., LTD. (JP) 2014-04-16 — — EP disclosed
EP-2546236-A1 COMPOUND CONTAINING PYRIDINE RING AND METHOD FOR PRODUCING HALOGENATED PICOLINE DERIVATIVE AND TETRAZOLYLOXIME DERIVATIVE Nippon Soda Co., Ltd. (JP) 2013-01-16 — — EP disclosed
US-20130012713-A1 COMPOUND CONTAINING PYRIDINE RING AND METHOD FOR PRODUCING HALOGENATED PICOLINE DERIVATIVE AND TETRAZOLYLOXIME DERIVATIVE NIPPON SODA CO., LTD 2013-01-10 — — 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 (5 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-20140155615-A1 COMPOUND CONTAINING PYRIDINE RING AND METHOD FOR PRODUCING HALOGENATED PICOLINE DERIVATIVE AND TETRAZOLYLOXIME DERIVATIVE CBR3, PNPO, AADAC GPR3 3564/4885RAF1 2964/4885EPHX2 2414/4885
US-20140155612-A1 COMPOUND CONTAINING PYRIDINE RING AND METHOD FOR PRODUCING HALOGENATED PICOLINE DERIVATIVE AND TETRAZOLYLOXIME DERIVATIVE CBR3, PNPO, AADAC GPR3 3564/4885RAF1 2964/4885EPHX2 2414/4885
US-20140155611-A1 COMPOUND CONTAINING PYRIDINE RING AND METHOD FOR PRODUCING HALOGENATED PICOLINE DERIVATIVE AND TETRAZOLYLOXIME DERIVATIVE CBR3, PNPO, AADAC GPR3 3564/4885RAF1 2964/4885EPHX2 2414/4885
US-20140155613-A1 COMPOUND CONTAINING PYRIDINE RING AND METHOD FOR PRODUCING HALOGENATED PICOLINE DERIVATIVE AND TETRAZOLYLOXIME DERIVATIVE CBR3, PNPO, AADAC GPR3 3564/4885RAF1 2964/4885EPHX2 2414/4885
US-20130012713-A1 COMPOUND CONTAINING PYRIDINE RING AND METHOD FOR PRODUCING HALOGENATED PICOLINE DERIVATIVE AND TETRAZOLYLOXIME DERIVATIVE CBR3, PNPO, AADAC GPR3 3564/4885RAF1 2964/4885EPHX2 2414/4885

“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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