SCHEMBL414096

SCHEMBL414096

Clc1nccc2c1c(I)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.34
KCNN4 O15554 2/20 0.32
KCNA3 P22001 2/20 0.32
MEN1 O00255 1/20 0.31
SLC22A1 O15245 1/20 0.31
NR1I2 O75469 1/20 0.31
GMNN O75496 1/20 0.31
USP2 O75604 1/20 0.31
TRPM2 O94759 1/20 0.31
ABCB11 O95342 1/20 0.31
EGFR P00533 1/20 0.31
CA2 P00918 1/20 0.31
LMNA P02545 1/20 0.31
NR3C1 P04150 1/20 0.31
ERBB2 P04626 1/20 0.31
TP53 P04637 1/20 0.31
CYP17A1 P05093 1/20 0.31
CYP1A2 P05177 1/20 0.31
FYN P06241 1/20 0.31
GLA P06280 1/20 0.31

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
SCHEMBL25296298 0.83 AURKA (0.34) AURKAKCNN4KCNA3MEN1SLC22A1
SCHEMBL30228734 0.83 AURKA (0.34) AURKAKCNN4KCNA3MEN1SLC22A1
SCHEMBL875874 0.83 AURKA (0.34) AURKAKCNN4KCNA3MEN1SLC22A1
SCHEMBL13060930 0.83 CYP11B1 (0.31) CYP11B1CYP11B2
SCHEMBL875386 0.80 MAPK1 (0.37) MAPK1RAB9A
SCHEMBL31409600 0.80 AURKA (0.32) AURKAKCNN4KCNA3
SCHEMBL24168712 0.79 MAPK1 (0.32) AURKAMAPK1
SCHEMBL875346 0.78 LRRK2 (0.35) MEN1SLC6A2MAPK1KMT2ASMN1; SMN2
SCHEMBL2630740 0.77 LMNA (0.34) LMNAMAPTHTTSMN1; SMN2L3MBTL1
SCHEMBL875603 0.77 LRRK2 (0.36) MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025026997-A1 SUBSTITUED BICYCLIC HETEROCYCLIC YAP-TEAD AND/OR TAZ-TEAD INHIBITORS MERCK PATENT GMBH (DE) 2025-02-06 WO disclosed
US-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 US disclosed
US-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 US disclosed
US-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 US disclosed
US-20160251352-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2016-09-01 US disclosed
US-9371320-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-21 US disclosed
EP-2408772-B1 COMPOUNDS MEDICAL RES COUNCIL TECHNOLOGY (GB) 2015-07-01 EP disclosed
US-20150141406-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-21 US disclosed
EP-2857400-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-04-08 EP disclosed
US-20140288043-A1 PYRAZOLOPYRIDINE COMPOUNDS GENENTECH, INC. (US) 2014-09-25 US disclosed
US-20120295883-A1 COMPOUNDS GENENTECH, INC. (US) 2012-11-22 US disclosed
US-20120295883-A1 COMPOUNDS GENENTECH, INC. (US) 2012-11-22 US disclosed
US-20120295883-A1 COMPOUNDS GENENTECH, INC. (US) 2012-11-22 US disclosed
WO-2012038743-A1 PYRAZOLOPYRIDINES AS INHIBITORS OF THE KINASE LRRK2 MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2012-03-29 WO disclosed
WO-2012038743-A1 PYRAZOLOPYRIDINES AS INHIBITORS OF THE KINASE LRRK2 MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2012-03-29 WO disclosed
EP-2408772-A1 COMPOUNDS Medical Research Council Technology (GB) 2012-01-25 EP disclosed
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 US disclosed
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 US disclosed
WO-2010106333-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-09-23 WO disclosed
WO-2010106333-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-09-23 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 (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-20160251352-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 AURKA 2277/4885KCNN4 4164/4885KCNA3 3912/4885
US-20140288043-A1 PYRAZOLOPYRIDINE COMPOUNDS KCNJ11, P2RX4, P2RY4 AURKA 1595/4885KCNN4 96/4885KCNA3 51/4885
US-20120295883-A1 COMPOUNDS ABCC5, PRNP, PC AURKA 1004/4885KCNN4 685/4885KCNA3 143/4885
US-20170320870-A1 COMPOUNDS CBR3, CNR1, HCAR3 AURKA 2750/4885KCNN4 1091/4885KCNA3 542/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 AURKA 2277/4885KCNN4 4164/4885KCNA3 3912/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 AURKA 2786/4885KCNN4 1156/4885KCNA3 567/4885

“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.