SCHEMBL2443498

SCHEMBL2443498

Nc1n[nH]c2ccc(Oc3ccc(F)cc3)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 9/20 0.49
PDPK1 O15530 2/20 0.49
NTRK1 P04629 3/20 0.44
NTRK3 Q16288 1/20 0.44
NTRK2 Q16620 1/20 0.44
CCNC P24863 3/20 0.44
CDK8 P49336 3/20 0.44
KDM4E B2RXH2 2/20 0.42
CYP3A4 P08684 1/20 0.42
GAA P10253 1/20 0.42
DAPK3 O43293 2/20 0.41
PRKD3 O94806 2/20 0.41
MAP4K4 O95819 2/20 0.41
CSF1R P07333 2/20 0.41
PRKACA P17612 2/20 0.41
CLK2 P49760 2/20 0.41
GSK3A P49840 2/20 0.41
GSK3B P49841 2/20 0.41
PRKX P51817 2/20 0.41
CDK5 Q00535 2/20 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
SCHEMBL1334913 0.89 NTRK1 (0.55) JAK2PDPK1NTRK1NTRK3NTRK2
SCHEMBL1336580 0.86 BTK (0.49) JAK2PDPK1NTRK1NTRK3NTRK2
SCHEMBL1336620 0.85 JAK2 (0.58) JAK2PDPK1KDM4ECYP3A4GAA
SCHEMBL1336206 0.85 JAK2 (0.58) JAK2PDPK1KDM4ECYP3A4GAA
SCHEMBL785649 0.84 JAK2 (0.60) JAK2PDPK1NTRK1CCNCCDK8
SCHEMBL13548697 0.79 NTRK1 (0.52) NTRK1NTRK3NTRK2LCKFGFR1
SCHEMBL12907171 0.78 JAK2 (0.72) JAK2PDPK1NTRK1DAPK3PRKD3
SCHEMBL2474566 0.77 NTRK1 (0.45) JAK2PDPK1NTRK1NTRK3NTRK2
SCHEMBL2436313 0.76 KDM4E (0.55) JAK2PDPK1KDM4ECYP3A4GAA
SCHEMBL1336234 0.76 IKBKE (0.53) JAK2NTRK1KDM4EGAAMAP4K4

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2039685-B1 Heterobicyclic compounds as P38 inhibitors ARRAY BIOPHARMA INC (US) 2012-12-26 EP claimed
US-20090143422-A1 P38 INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2009-06-04 US claimed
US-10441577-B2 Medicament for treatment of liver cancer HELMHOLTZ ZENTRUM FUER INFEKTIONSFORSCHUNG (DE) 2019-10-15 US disclosed
US-20150079154-A1 MEDICAMENT FOR TREATMENT OF LIVER CANCER HELMHOLTZ-ZENTRUM FUER INFEKTIONSFORSCHUNG GMBH (DE) 2015-03-19 US disclosed
US-20150079154-A1 MEDICAMENT FOR TREATMENT OF LIVER CANCER HELMHOLTZ-ZENTRUM FUER INFEKTIONSFORSCHUNG GMBH (DE) 2015-03-19 US disclosed
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
EP-1997809-A2 Indazole, benzoxazole and pyrazolopyridine derivatives for medical use 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
US-7135575-B2 P38 inhibitors and methods of use thereof ARRAY BIOPHARMA, INC. (US) 2006-11-14 US 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
US-20040176325-A1 P38 MAP kinase inhibitors comprising indazole derivatives; antiinflammatory and antiproliferative agents; autoimmune, bone, and neurodegenerative disorders; viricides, infections ARRAY BIOPHARMA INC. 2004-09-09 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 (6 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 JAK2 229/4885PDPK1 143/4885NTRK1 3145/4885
US-20040176325-A1 P38 MAP kinase inhibitors comprising indazole derivatives; antiinflammatory and antiproliferative agents; autoimmune, bone, and neurodegenerative disorders; viricides, infections MAPK1, MAPK3, MAP3K1 JAK2 350/4885PDPK1 120/4885NTRK1 1487/4885
US-20040180896-A1 P38 inhibitors and methods of use thereof MAPK1, MAPK3, MAPK8 JAK2 155/4885PDPK1 195/4885NTRK1 3441/4885
US-10441577-B2 Medicament for treatment of liver cancer PYGL, PFKL, GLS2 JAK2 289/4885PDPK1 255/4885NTRK1 2907/4885
US-20040192653-A1 P38 inhibitors and methods of use thereof MAPK1, MAPK3, MAPK8 JAK2 155/4885PDPK1 195/4885NTRK1 3441/4885
US-20150079154-A1 MEDICAMENT FOR TREATMENT OF LIVER CANCER PYGL, PFKL, GLS2 JAK2 289/4885PDPK1 255/4885NTRK1 2907/4885

“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.