SCHEMBL3192003

SCHEMBL3192003

Clc1nccc2[nH]cc(-c3ccc(Oc4ccccc4)cc3)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.41
GSTP1 P09211 1/20 0.40
NPC1 O15118 1/20 0.39
SCN4A P35499 1/20 0.39
RAB9A P51151 1/20 0.39
DYRK1A Q13627 1/20 0.38
BTK Q06187 4/20 0.38
PRKAB2 O43741 1/20 0.38
PRKAG1 P54619 1/20 0.38
PRKAA2 P54646 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PRKAG3 Q9UGI9 1/20 0.38
PRKAG2 Q9UGJ0 1/20 0.38
PRKAB1 Q9Y478 1/20 0.38
MAPK13 O15264 1/20 0.38
GCGR P47871 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
NISCH Q9Y2I1 1/20 0.38

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
SCHEMBL20081120 0.84 BTK (0.47) LTA4HNPC1RAB9ABTKALDH1A1
SCHEMBL10310199 0.82 LTA4H (0.40) LTA4HGSTP1NPC1SCN4ARAB9A
SCHEMBL14115594 0.77 BACE1 (0.45) DYRK1AJAK2
SCHEMBL14115579 0.76 LRRK2 (0.50) DYRK1APRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL15084547 0.76 PARP1 (0.42) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL737913 0.75 LTA4H (0.49) LTA4HGSTP1NPC1SCN4ARAB9A
SCHEMBL15084554 0.74 EGFR (0.44) DYRK1APRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL31409705 0.73 DYRK1A (0.36) DYRK1APIM1PIM3
SCHEMBL408642 0.72 SCN9A (0.44) NPC1RAB9ABTKKDRTEK
SCHEMBL30373371 0.71 CCNE2 (0.42) NPC1RAB9ANISCHALDH1A1PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110606848-A 5-azaindole derivative Bruton's tyrosine kinase inhibitor and preparation method and application thereof 药雅科技(上海)有限公司 2019-12-24 CN disclosed
CN-101848909-A Pyrrolo [3,2-C ] pyridines useful as protein kinase inhibitors VERTEX PHARMA 2010-09-29 CN disclosed
US-7659283-B2 Pyrrolo [3,2-C] pyridines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-02-09 US disclosed
US-7659283-B2 Pyrrolo [3,2-C] pyridines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-02-09 US disclosed
US-7659283-B2 Pyrrolo [3,2-C] pyridines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-02-09 US disclosed
US-20070213327-A1 Pyrrolo [3,2-C] pyridines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2007-09-13 US disclosed
US-20070213327-A1 Pyrrolo [3,2-C] pyridines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2007-09-13 US disclosed
US-20070213327-A1 Pyrrolo [3,2-C] pyridines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2007-09-13 US disclosed
WO-2007095223-A2 PYRROLO(3,2-C) PYRIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-08-23 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 (1 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-20070213327-A1 Pyrrolo [3,2-C] pyridines useful as inhibitors of protein kinases PACSIN2, MAP3K20, PRKCH LTA4H 4006/4885GSTP1 3577/4885NPC1 3423/4885

“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.