SCHEMBL2113290

SCHEMBL2113290

On1nnc2c(I)cccc21

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.48
POLB P06746 1/20 0.48
ATM Q13315 1/20 0.48
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
GRM2 Q14416 4/20 0.33
PKM P14618 1/20 0.33
DGAT1 O75907 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL378660 0.78 POLB (0.50) MAPK1POLBATMMAPTLMNA
SCHEMBL3282850 0.76 GRM2 (0.50) MAPK1POLBATMMAPTLMNA
Water SCHEMBL3673310 0.76 POLB (0.48) MAPK1POLBATMMAPTLMNA
SCHEMBL28812584 0.76 GRM2 (0.50) MAPK1POLBATMMAPTLMNA
SCHEMBL19848410 0.76 SLC9A1 (0.48) POLBMAPTLMNAGRM2KDM4E
SCHEMBL16600359 0.74 GAA (0.39) MAPTDGAT1KDM4E
SCHEMBL7046048 0.73 MAPK1 (0.46) MAPK1POLBATMMAPTLMNA
SCHEMBL8908200 0.73 MAPK1 (0.46) MAPK1POLBATMMAPTLMNA
SCHEMBL28854710 0.73 POLB (0.46) MAPK1POLBATMMAPTLMNA
SCHEMBL724308 0.72 MAPK1 (0.51) MAPK1POLBATMMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3313521-A1 ANTIBODY DRUG CONJUGATES OF KINESIN SPINDEL PROTEIN (KSP) INHIBITORS WITH ANTI-TWEAKR-ANTIBODIES Bayer Pharma Aktiengesellschaft (DE) 2018-05-02 EP disclosed
EP-3313524-A1 ANTIBODY DRUG CONJUGATES OF KINESIN SPINDEL PROTEIN (KSP) INHIBITORS WITH ANTI-CD123-ANTIBODIES Bayer Pharma Aktiengesellschaft (DE) 2018-05-02 EP disclosed
WO-2016207098-A1 ANTIBODY DRUG CONJUGATES OF KINESIN SPINDEL PROTEIN (KSP) INHIBITORS WITH ANTI-CD123-ANTIBODIES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-12-29 WO disclosed
WO-2016207094-A1 ANTIBODY DRUG CONJUGATES OF KINESIN SPINDEL PROTEIN (KSP) INHIBITORS WITH ANTI-TWEAKR-ANTIBODIES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-12-29 WO disclosed
US-9233951-B2 Heterocyclic compounds as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-12 US disclosed
US-20120094837-A1 Novel Heterocyclic Compounds as Pesticides BAYER CROP SCIENCE AG (DE) 2012-04-19 US disclosed
US-20080076719-A1 IMMUNOREGULATORY COMPOSITIONS ERASMUS UNIVERSITEIT ROTTERDAM (NL) 2008-03-27 US disclosed
US-7332524-B2 Adamantyl acetamides as 11-beta hydroxysteroid dehydrogenase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-19 US disclosed
EP-1874933-A2 PRODUCTION OF RECOMBINANT PROTEINS BY AUTOPROTEOLYTIC CLEAVAGE OF A FUSION PROTEIN Sandoz AG (CH) 2008-01-09 EP disclosed
WO-2006113959-A2 PRODUCTION OF RECOMBINANT PROTEINS BY AUTOPROTEOLYTIC CLEAVAGE OF A FUSION PROTEIN SANDOZ AG (CH) 2006-11-02 WO disclosed
US-20060079506-A1 Adamantyl acetamides as 11-beta hydroxysteroid dehydrogenase inhibitors JANSSEN PHARMACEUTICAL N.V. (BE) 2006-04-13 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 (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-20060079506-A1 Adamantyl acetamides as 11-beta hydroxysteroid dehydrogenase inhibitors DHCR7, HSD3B2, HSD3B1 MAPK1 3322/4885POLB 2406/4885ATM 4789/4885
US-20120094837-A1 Novel Heterocyclic Compounds as Pesticides DDT, PTMS, ACHE MAPK1 4028/4885POLB 4661/4885ATM 3908/4885

“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.