SCHEMBL13699573

SCHEMBL13699573

Cc1cc(Cl)ccc1N1CCN(C(=O)C(C)(C)C)C[C@H]1c1ccc(Nc2ccncc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 7/20 0.44
REV1 Q9UBZ9 1/20 0.40
GRM5 P41594 1/20 0.40
MEN1 O00255 1/20 0.39
IDE P14735 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
RIPK1 Q13546 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP3A5 P20815 2/20 0.36
AKR1C3 P42330 1/20 0.35
P2RX7 Q99572 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
EGFR P00533 1/20 0.35
CSF1R P07333 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 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
SCHEMBL4168350 0.88 MDM2 (0.43) MDM2REV1GRM5MEN1IDE
SCHEMBL4168355 0.88 MDM2 (0.43) MDM2REV1GRM5MEN1IDE
SCHEMBL4166201 0.84 MDM2 (0.47) MDM2MEN1IDEKMT2ALMNA
SCHEMBL4166206 0.84 MDM2 (0.47) MDM2MEN1IDEKMT2ALMNA
SCHEMBL4163914 0.82 MDM2 (0.46) MDM2MEN1IDEKMT2ALMNA
SCHEMBL13699561 0.82 MDM2 (0.45) MDM2GRM5MEN1IDEKMT2A
SCHEMBL13699627 0.81 REV1 (0.47) MDM2REV1MEN1IDEKMT2A
SCHEMBL13699574 0.79 MDM2 (0.43) MDM2MEN1IDEKMT2ALMNA
SCHEMBL13699629 0.78 MDM2 (0.40) MDM2REV1MEN1IDEKMT2A
SCHEMBL13699560 0.78 MDM2 (0.43) MDM2MEN1IDEKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221582-A1 Piperazine Derivatives And Their Use In Therapy VERNALIS (R&D) (GB) 2009-09-03 US disclosed
US-20090221582-A1 Piperazine Derivatives And Their Use In Therapy VERNALIS (R&D) (GB) 2009-09-03 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 (1 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-20090221582-A1 Piperazine Derivatives And Their Use In Therapy CNR2, CNR1, ALK MDM2 2997/4885REV1 3881/4885GRM5 354/4885

“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.