SCHEMBL4289522

SCHEMBL4289522

CN1CCN(c2n[nH]c3ccc(Br)cc23)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.55
AXL P30530 2/20 0.50
CDC7 O00311 1/20 0.49
HRH4 Q9H3N8 4/20 0.49
JAK2 O60674 2/20 0.49
PDPK1 O15530 1/20 0.49
DCLK1 O15075 1/20 0.44
PRKD3 O94806 1/20 0.44
MAP4K4 O95819 1/20 0.44
CHEK2 O96017 1/20 0.44
CSF1R P07333 1/20 0.44
FER P16591 1/20 0.44
CDK2 P24941 1/20 0.44
MARK3 P27448 1/20 0.44
FLT4 P35916 1/20 0.44
FLT3 P36888 1/20 0.44
MAPK9 P45984 1/20 0.44
CSNK1D P48730 1/20 0.44
CLK2 P49760 1/20 0.44
CSNK2A1 P68400 1/20 0.44

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
Hydrochloric Acid SCHEMBL9778506 0.99 HTT (0.53) HTTAXLCDC7HRH4JAK2
SCHEMBL22860166 0.84 HRH4 (0.51) HTTCDC7HRH4JAK2MAPK1
SCHEMBL9778433 0.84 HTT (0.56) HTTAXLJAK2PDPK1DCLK1
SCHEMBL4294083 0.82 MAPK1 (0.54) HTTAXLCDC7JAK2PDPK1
SCHEMBL4785792 0.82 JAK2 (0.54) AXLCDC7HRH4JAK2CLK2
SCHEMBL9778567 0.82 ALDH1A1 (0.56) HTTCDC7HRH4JAK2MAPK1
SCHEMBL9778488 0.82 HRH4 (0.53) CDC7HRH4JAK2MAPK1
SCHEMBL9778418 0.80 LRRK2 (0.61) CDC7HRH4JAK2LRRK2
SCHEMBL9778523 0.79 HRH4 (0.48) CDC7HRH4JAK2MAPK1HTR2C
SCHEMBL14208177 0.79 ALDH1A1 (0.48) CDC7HRH4JAK2MAPK1ALDH1A1

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-4954503-A ANALGESIC, ANTIPSYCHOTIC AGENTS HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1990-09-04 US claimed
US-9163007-B2 5-substituted indazoles as kinase inhibitors ABBVIE INC. (US) 2015-10-20 US disclosed
US-20140343066-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS AbbVie Deutschland GmbH & Co. KG (DE) 2014-11-20 US disclosed
US-8648069-B2 5-substituted indazoles as kinase inhibitors ABBVIE INC. (US) 2014-02-11 US disclosed
US-20090203690-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS ABBOTT LABORATORIES (US) 2009-08-13 US disclosed
US-6831175-B2 Such as N,N-dimethyl-N-(2-((5-((E)-2-pyridin-4-ylvinyl) pyridin-3-yl)oxy)ethyl)amine ABBOTT LABORATORIES 2004-12-14 US disclosed
EP-1463505-A2 3-(PHENYL-ALKOXY)-5-(PHENYL)-PYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER Abbott Laboratories (US) 2004-10-06 EP disclosed
US-20030199511-A1 Kinase inhibitors ABBVIE INC. 2003-10-23 US disclosed
US-20030187026-A1 Kinase inhibitors ABBOTT LABORATORIES 2003-10-02 US disclosed
WO-2003051366-A2 3-(PHENYL-ALKOXY)-5-(PHENYL)-PYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER ABBOTT LABORATORIES (US) 2003-06-26 WO disclosed
US-5077405-A Condensation of corresponding phenylsulfonyl compound with condensation agent, cyanation, reduction HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-12-31 US disclosed
EP-0417653-A1 3-(1-Substituted-4-piperazinyl)-1H-indazoles, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-03-20 EP disclosed
US-4954503-A ANALGESIC, ANTIPSYCHOTIC AGENTS HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1990-09-04 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 (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-20030187026-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 HTT 4817/4885AXL 1159/4885CDC7 76/4885
US-20140343066-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS GSK3B, GSK3A, PIM3 HTT 4551/4885AXL 742/4885CDC7 8/4885
US-20090203690-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS GSK3B, GSK3A, PIM3 HTT 4551/4885AXL 742/4885CDC7 8/4885
US-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 HTT 4817/4885AXL 1159/4885CDC7 76/4885

“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.