SCHEMBL2679504

SCHEMBL2679504

COc1ccccc1C1(Cl)C(=O)Nc2ccc(C#N)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
PGR P06401 5/20 0.43
AR P10275 1/20 0.40
GSK3B P49841 2/20 0.39
STK10 O94804 1/20 0.39
CLK2 P49760 1/20 0.39
GSK3A P49840 1/20 0.39
SLK Q9H2G2 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
MAPK10 P53779 1/20 0.38
DYRK1A Q13627 1/20 0.37
SNCA P37840 1/20 0.37
ALK Q9UM73 1/20 0.37
CHEK1 O14757 1/20 0.37
MDM2 Q00987 1/20 0.36
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35

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
SCHEMBL1795281 0.87 TRPV4 (0.43) KMT2APGRBACE1
SCHEMBL2679629 0.83 KMT2A (0.67) KMT2APGRARGSK3BSTK10
SCHEMBL1795899 0.82 KMT2A (0.51) KMT2APGRHTR7
SCHEMBL5357970 0.82 KMT2A (0.51) KMT2APGRCHEK1CDK5HTR7
SCHEMBL31317648 0.81 KMT2A (0.63) KMT2ACHEK1HTR7BACE1
SCHEMBL4590594 0.78 KMT2A (0.49) KMT2AGSK3BSTK10GSK3ASLK
SCHEMBL17260322 0.78 TRPV4 (0.40) KMT2APGRARMDM2
SCHEMBL17260266 0.77 AVPR1B (0.42) KMT2APGRGSK3BSNCAALK
SCHEMBL4590477 0.76 ADAMTS5 (0.47) KMT2AALPL
SCHEMBL1479564 0.75 AVPR1B (0.39) KMT2APGRARGSK3BGSK3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9688678-B2 Oxindole compounds carrying a nitrogen-bound spiro substituent and use thereof for treating vasopressin-related diseases AbbVie Deutschland GmbH & Co. KG (DE) 2017-06-27 US disclosed
EP-3143024-A1 OXINDOLE COMPOUNDS CARRYING A NITROGEN-BOUND SPIRO SUBSTITUENT AND USE THEREOF FOR TREATING VASOPRESSIN-RELATED DISEASES AbbVie Deutschland GmbH & Co. KG (DE) 2017-03-22 EP disclosed
US-20150329551-A1 OXINDOLE COMPOUNDS CARRYING A NITROGEN-BOUND SPIRO SUBSTITUENT AND USE THEREOF FOR TREATING VASOPRESSIN-RELATED DISEASES AbbVie Deutschland GmbH & Co. KG (DE) 2015-11-19 US disclosed
WO-2015173393-A1 OXINDOLE COMPOUNDS CARRYING A NITROGEN-BOUND SPIRO SUBSTITUENT AND USE THEREOF FOR TREATING VASOPRESSIN-RELATED DISEASES AbbVie Deutschland GmbH & Co. KG (DE) 2015-11-19 WO disclosed
US-20120115842-A1 Substituted Oxindole Derivatives, Medicaments Containing Said Derivatives and Use Thereof ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2012-05-10 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-20150329551-A1 OXINDOLE COMPOUNDS CARRYING A NITROGEN-BOUND SPIRO SUBSTITUENT AND USE THEREOF FOR TREATING VASOPRESSIN-RELATED DISEASES AVPR2, AVPR1B, AVPR1A KMT2A 3493/4885PGR 654/4885AR 379/4885
US-20120115842-A1 Substituted Oxindole Derivatives, Medicaments Containing Said Derivatives and Use Thereof OXTR, AVPR2, AVPR1B KMT2A 3806/4885PGR 440/4885AR 736/4885

“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.