SCHEMBL1492552

SCHEMBL1492552

CSc1ncc(N)c(Br)n1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HASPIN Q8TF76 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
UHRF1 Q96T88 1/20 0.34
NTRK1 P04629 1/20 0.34
HSP90AB1 P08238 2/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
KDM4E B2RXH2 1/20 0.31
HSP90AA1 P07900 1/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
GAA P10253 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL9409348 0.78 HASPIN (0.39) HASPINMEN1KMT2AUHRF1NTRK1
SCHEMBL10261190 0.77 HASPIN (0.38) HASPINMEN1KMT2AUHRF1NTRK1
SCHEMBL6473545 0.77 HSP90AB1 (0.39) HASPINMEN1KMT2AUHRF1HSP90AB1
SCHEMBL19725081 0.75 MEN1 (0.44) HASPINMEN1KMT2AHSP90AB1KDM4E
SCHEMBL18232261 0.75 HASPIN (0.37) HASPINMEN1KMT2ANTRK1HSP90AB1
Hydrochloric Acid SCHEMBL27478819 0.75 AHR (0.38) HASPINMEN1KMT2AUHRF1HSP90AB1
SCHEMBL10997608 0.75 MEN1 (0.41) HASPINMEN1KMT2ANTRK1HSP90AB1
SCHEMBL12876461 0.72 KDM4E (0.42) HASPINMEN1KMT2ANTRK1HSP90AB1
SCHEMBL22534779 0.72 HASPIN (0.36) HASPINMEN1KMT2AKDM4ERXFP1
SCHEMBL28135917 0.72 KDM4E (0.44) MEN1KMT2ACCNA2CDK2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220013730-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK KGAA (DE) 2022-01-13 US disclosed
WO-2020109434-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-06-04 WO disclosed
US-8268859-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-18 US disclosed
US-8268859-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-18 US disclosed
US-8268859-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-18 US disclosed
EP-2300472-B1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2012-01-18 EP disclosed
EP-2300472-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2011-03-30 EP disclosed
US-20090325988-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions and Uses Thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-12-31 US disclosed
US-20090325988-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions and Uses Thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-12-31 US disclosed
US-20090325988-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions and Uses Thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-12-31 US disclosed
WO-2009149139-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-10 WO disclosed
WO-2009149139-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-10 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-20220013730-A1 COMPOUNDS FOR ELECTRONIC DEVICES ETV6, CYP2C19, ESR1 HASPIN 4843/4885MEN1 153/4885KMT2A 1896/4885
US-20090325988-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions and Uses Thereof NR3C1, NR3C2, MC2R HASPIN 3973/4885MEN1 1008/4885KMT2A 4127/4885

“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.