SCHEMBL16610840

SCHEMBL16610840

CNC(=O)C1CCN(c2ccc(Br)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.49
ME3 Q16798 1/20 0.49
NOTUM Q6P988 1/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
RORC P51449 1/20 0.47
SYK P43405 2/20 0.46
RXFP1 Q9HBX9 1/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 1/20 0.45
USP2 O75604 1/20 0.44
NPY5R Q15761 1/20 0.44
CYP46A1 Q9Y6A2 1/20 0.44

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
SCHEMBL13724599 0.84 GFER (0.51) PDK2ME3NOTUMKMT2ARORC
SCHEMBL22854275 0.82 RORC (0.53) PDK2ME3NOTUMKMT2APOLB
SCHEMBL2561051 0.82 TRIM24 (0.51) ALDH1A1SMN1; SMN2
SCHEMBL28292789 0.82 AKR1C3 (0.50) ME3NOTUMKMT2AALDH1A1MAPT
SCHEMBL16610843 0.81 MAPT (0.66) PDK2KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL7011465 0.81 F10 (0.50) PDK2RXFP1CYP46A1
SCHEMBL14167559 0.80 NOTUM (0.57) ME3NOTUMKMT2APOLBRXFP1
SCHEMBL14241715 0.78 CYP46A1 (0.50) PDK2NOTUMRORCSYKALDH1A1
SCHEMBL2636348 0.78 KDM4E (0.60) ALDH1A1
SCHEMBL13733384 0.76 NOTUM (0.57) PDK2ME3NOTUMSYKRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220332700-A1 NOVEL APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS MANKIND PHARMA LTD (IN) 2022-10-20 US disclosed
WO-2020261294-A1 NOVEL APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS MANKIND PHARMA LTD. (IN) 2020-12-30 WO disclosed
WO-2020261294-A1 NOVEL APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS MANKIND PHARMA LTD. (IN) 2020-12-30 WO 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 PDK2 1057/4885ME3 1573/4885NOTUM 3983/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 PDK2 1057/4885ME3 1573/4885NOTUM 3983/4885
US-20220332700-A1 NOVEL APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS BAD, BAX, BCL2 PDK2 1505/4885ME3 2985/4885NOTUM 3637/4885

“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.