SCHEMBL2446602

SCHEMBL2446602

Cc1cc(Oc2ccc(F)cc2C#N)ccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.50
▸ SLC22A12 Q96S37 10/20 0.48
▸ HSPB1 P04792 2/20 0.46
▸ AR P10275 4/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL378894 0.90 SLC22A12 (0.46) SLC22A12HSPB1ARALDH1A1LMNA
SCHEMBL16792430 0.86 MAPT (0.53) MAPTARMEN1POLBKMT2A
SCHEMBL5321473 0.81 HSPB1 (0.49) MAPTHSPB1MEN1POLBKMT2A
SCHEMBL2445073 0.81 PIN1 (0.47) SLC22A12HSPB1
SCHEMBL11779619 0.81 HSPB1 (0.68) MAPTSLC22A12HSPB1ARMEN1
SCHEMBL11089663 0.79 SLC22A12 (0.40) SLC22A12HSPB1ARLMNAHTT
SCHEMBL2531644 0.79 HSPB1 (0.57) MAPTHSPB1MEN1POLBKMT2A
SCHEMBL378963 0.78 AR (0.50) SLC22A12AR
SCHEMBL30764792 0.77 HSPB1 (0.55) MAPTHSPB1MEN1POLBKMT2A
SCHEMBL13548691 0.77 HSPB1 (0.55) MAPTHSPB1MEN1POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1997809-B1 P38 inhibitors and methods of use thereof ARRAY BIOPHARMA INC (US) 2014-05-14 — — EP disclosed
US-8518983-B2 P38 inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2013-08-27 — — US disclosed
EP-1997810-B1 Indazoles, benzotriazoles and N-analogs thereof as p38 kinase inhibitors ARRAY BIOPHARMA INC (US) 2013-07-31 — — EP disclosed
EP-2039685-B1 Heterobicyclic compounds as P38 inhibitors ARRAY BIOPHARMA INC (US) 2012-12-26 — — EP disclosed
US-8017641-B2 P38 inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2011-09-13 — — US disclosed
US-7799782-B2 P38 inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2010-09-21 — — US disclosed
US-20090149459-A1 P38 INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2009-06-11 — — US disclosed
US-20090143422-A1 P38 INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2009-06-04 — — US disclosed
US-20090136596-A1 P38 INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2009-05-28 — — US disclosed
US-7521447-B2 P38 inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2009-04-21 — — US disclosed
EP-2039685-A2 Heterobicyclic compounds as P38 inhibitors Array Biopharma, Inc. (US) 2009-03-25 — — EP disclosed
EP-1997810-A2 Indazole, benzoxazole and pyrazolopyridine derivatives for medical use Array Biopharma Inc. (US) 2008-12-03 — — EP disclosed
EP-1997809-A2 Indazole, benzoxazole and pyrazolopyridine derivatives for medical use Array Biopharma Inc. (US) 2008-12-03 — — EP disclosed
EP-1997811-A2 Indazole, benzoxazole and pyrazolopyridine derivatives as P38 kinase inhibitors Array Biopharma Inc. (US) 2008-12-03 — — EP disclosed
WO-2004078116-A9 P38 INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2008-09-12 — — WO disclosed
EP-1606283-A4 P38 INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2007-05-23 — — EP disclosed
EP-1606283-A2 P38 INHIBITORS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2005-12-21 — — EP disclosed
US-20040192653-A1 P38 inhibitors and methods of use thereof ARRAY BIOPHARMA INC. 2004-09-30 — — US disclosed
US-20040180896-A1 P38 inhibitors and methods of use thereof ARRAY BIOPHARMA, INC. 2004-09-16 — — US disclosed
WO-2004078116-A2 P38 INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA, INC. (US) 2004-09-16 — — 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 (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-20090143422-A1 P38 INHIBITORS AND METHODS OF USE THEREOF MAPKAPK2, MAPK1, MAPK8 MAPT 1859/4885SLC22A12 4097/4885HSPB1 252/4885
US-20090136596-A1 P38 INHIBITORS AND METHODS OF USE THEREOF MAPKAPK2, MAPK1, MAPK8 MAPT 1859/4885SLC22A12 4097/4885HSPB1 252/4885
US-20090149459-A1 P38 INHIBITORS AND METHODS OF USE THEREOF MAPKAPK2, MAPK1, MAPK8 MAPT 1859/4885SLC22A12 4097/4885HSPB1 252/4885
US-20040180896-A1 P38 inhibitors and methods of use thereof MAPK1, MAPK3, MAPK8 MAPT 1512/4885SLC22A12 3886/4885HSPB1 477/4885
US-20040192653-A1 P38 inhibitors and methods of use thereof MAPK1, MAPK3, MAPK8 MAPT 1512/4885SLC22A12 3886/4885HSPB1 477/4885

“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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