SCHEMBL4547159

SCHEMBL4547159

NNc1cccc(-n2cccn2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
NOTUM Q6P988 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
GHSR Q92847 1/20 0.44
ERCC1 P07992 1/20 0.42
ERCC4 Q92889 1/20 0.42
MAPT P10636 2/20 0.41
KAT6A Q92794 1/20 0.41
PKM P14618 1/20 0.41
TBK1 Q9UHD2 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 1/20 0.41
SYK P43405 4/20 0.40
IKBKE Q14164 1/20 0.40
MPO P05164 1/20 0.40
NLRP3 Q96P20 2/20 0.39
HTT P42858 1/20 0.39
MAPK10 P53779 1/20 0.39

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 SCHEMBL1117908 0.98 LMNA (0.49) LMNANOTUMMEN1KMT2AGHSR
SCHEMBL31368250 0.86 LMNA (0.49) LMNANOTUMMEN1KMT2AGHSR
Phenylhydrazine SCHEMBL28167825 0.84 LMNA (0.50) LMNANOTUMMEN1KMT2AMAPT
SCHEMBL27926580 0.83 LMNA (0.47) LMNANOTUMMEN1KMT2AGHSR
SCHEMBL4948621 0.83 LMNA (0.47) LMNANOTUMMEN1KMT2AGHSR
SCHEMBL5929314 0.81 LMNA (0.49) LMNANOTUMMEN1KMT2AGHSR
SCHEMBL5934873 0.81 NOTUM (0.57) LMNANOTUMMEN1KMT2AERCC1
SCHEMBL28205331 0.80 NOTUM (0.58) LMNANOTUMMEN1KMT2AMAPT
SCHEMBL521666 0.80 MAPT (0.52) LMNANOTUMMEN1KMT2AERCC1
SCHEMBL8064488 0.80 LMNA (0.54) LMNAMEN1KMT2AERCC1ERCC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304556-B2 Thiazolyl-dihydro-indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-06 US disclosed
US-8304556-B2 Thiazolyl-dihydro-indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-06 US disclosed
US-20120108567-A1 Thiazolyl-Dihydro-Indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-03 US disclosed
US-20120108567-A1 Thiazolyl-Dihydro-Indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-03 US disclosed
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-19 US disclosed
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-19 US disclosed
CN-102015728-A Thiazolyl-dihydro-indazoles BOEHRINGER INGELHEIM INT 2011-04-13 CN disclosed
WO-2009112565-A1 THIAZOLYL-DIHYDRO-INDAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-17 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 (2 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-20120108567-A1 Thiazolyl-Dihydro-Indazoles MKI67, CYP11B1, IGF1R LMNA 2884/4885NOTUM 3862/4885MEN1 938/4885
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles MKI67, CYP11B1, IGF1R LMNA 2884/4885NOTUM 3862/4885MEN1 938/4885

“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.