SCHEMBL2632664

SCHEMBL2632664

O=C1CCNc2ccc(C(F)(F)F)cc2N1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 16/20 0.54
PARP1 P09874 1/20 0.49
PARP10 Q53GL7 1/20 0.49
PKM P14618 1/20 0.43
PKLR P30613 1/20 0.43
TDP2 O95551 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL6756077 0.83 KIF11 (0.49) KIF11TDP2
SCHEMBL4596333 0.82 KIF11 (0.68) KIF11PARP1PARP10TDP2SMN1; SMN2
SCHEMBL31734651 0.80 TDP2 (0.54) KIF11TDP2
SCHEMBL5775632 0.79 MEN1 (0.44) KIF11PARP1PARP10
SCHEMBL30806264 0.78 KIF11 (0.62) KIF11PARP1PARP10PKMPKLR
SCHEMBL30697324 0.78 PARP1 (0.45) KIF11PARP1PARP10PKMSMN1; SMN2
SCHEMBL29126120 0.78 PARP1 (0.45) KIF11PARP1PARP10PKMSMN1; SMN2
SCHEMBL2238253 0.78 KIF11 (0.77) KIF11PKMPKLRTDP2
SCHEMBL30953872 0.75 PARP10 (0.54) KIF11PARP1PARP10TDP2SMN1; SMN2
SCHEMBL429558 0.75 PARP10 (0.54) KIF11PARP1PARP10TDP2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012050227-A1 PEPTIDE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-19 WO disclosed
US-20120094898-A1 PEPTIDE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-19 US disclosed
US-20120094899-A1 NEUROMEDIN U DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-19 US disclosed
EP-2418213-A1 NEUROMEDIN U DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2012-02-15 EP disclosed
US-20110212890-A1 METASTIN DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-09-01 US disclosed
US-20100286035-A1 NEUROMEDIN U DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-11 US disclosed
EP-2206721-A1 NEUROMEDIN U DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2010-07-14 EP disclosed
EP-0620216-B1 Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2003-01-08 EP disclosed
US-5521170-A VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-28 US disclosed
EP-0620216-A1 Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 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 (4 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-20100286035-A1 NEUROMEDIN U DERIVATIVE NMUR1, NMUR2, NMBR KIF11 925/4885PARP1 3029/4885PARP10 2250/4885
US-20120094899-A1 NEUROMEDIN U DERIVATIVE NMUR1, NMUR2, NMBR KIF11 980/4885PARP1 3746/4885PARP10 3451/4885
US-20110212890-A1 METASTIN DERIVATIVE AND USE THEREOF GNRHR, SHBG, LHCGR KIF11 1700/4885PARP1 4394/4885PARP10 3718/4885
US-20120094898-A1 PEPTIDE DERIVATIVE NPPA, LNPEP, NGLY1 KIF11 4341/4885PARP1 1673/4885PARP10 175/4885

“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.