SCHEMBL2627170

SCHEMBL2627170

N=C/C=C\Nc1ccc([N+](=O)[O-])cc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 12/20 0.48
▸ ALDH1A1 P00352 10/20 0.48
▸ KMT2A Q03164 9/20 0.48
▸ MEN1 O00255 7/20 0.48
▸ SMN1; SMN2 Q16637 5/20 0.48
▸ NPC1 O15118 4/20 0.48
▸ RAB9A P51151 4/20 0.48
▸ HTT P42858 6/20 0.44
▸ LMNA P02545 5/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ HIF1A Q16665 1/20 0.42
▸ PABPC1 P11940 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ TRPV1 Q8NER1 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ THRB P10828 1/20 0.36

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
SCHEMBL8739019 0.85 MAPT (0.48) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL13624972 0.82 MAPT (0.51) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL18772211 0.74 MAPT (0.50) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL2627172 0.73 NPC1 (0.33) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL5001388 0.73 MAPT (0.58) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL31114316 0.73 MAPT (0.52) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL3755633 0.73 MAPT (0.52) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL28796124 0.72 MAPT (0.49) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
Hydrochloric Acid SCHEMBL28408703 0.71 MAPT (0.57) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
Hydrochloric Acid SCHEMBL1117932 0.71 MAPT (0.51) MAPTALDH1A1KMT2AMEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150297595-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. 2015-10-22 — — US disclosed
US-20150297595-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. 2015-10-22 — — US disclosed
EP-2323993-B1 2,6-DIAMINO- PYRIMIDIN- 5-YL-CARBOXAMIDES AS SYK OR JAK KINASES INHIBITORS PORTOLA PHARM INC (US) 2015-06-03 — — EP disclosed
US-8952027-B2 Inhibitors of syk and JAK protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2015-02-10 — — US disclosed
US-8952027-B2 Inhibitors of syk and JAK protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2015-02-10 — — US disclosed
US-20130165431-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2013-06-27 — — US disclosed
US-8349860-B2 Inhibitors of syk and JAK protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2013-01-08 — — US disclosed
US-8349860-B2 Inhibitors of syk and JAK protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2013-01-08 — — US disclosed
US-8318755-B2 Inhibitors of SYK and JAK protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2012-11-27 — — US disclosed
US-20120130073-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-24 — — US disclosed
US-20120101275-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2012-04-26 — — US disclosed
US-20120101275-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2012-04-26 — — US disclosed
WO-2009136995-A2 INHIBITORS OF SYK PROTEIN KINASE PORTOLA PHARMACEUTICALS, INC. (US) 2009-11-12 — — 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 (4 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-20150297595-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES SYK, BTK, JAK1 MAPT 985/4885ALDH1A1 3700/4885KMT2A 1915/4885
US-20130165431-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES SYK, BTK, JAK1 MAPT 985/4885ALDH1A1 3700/4885KMT2A 1915/4885
US-20120130073-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES SYK, BTK, JAK1 MAPT 985/4885ALDH1A1 3700/4885KMT2A 1915/4885
US-20120101275-A1 INHIBITORS OF SYK AND JAK PROTEIN KINASES SYK, BTK, JAK1 MAPT 985/4885ALDH1A1 3700/4885KMT2A 1915/4885

“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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