SCHEMBL15548631

SCHEMBL15548631

COC(=O)c1nc2ccc(Cl)nn2c1C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.45
KDM4E B2RXH2 8/20 0.45
SMN1; SMN2 Q16637 6/20 0.45
RAB9A P51151 1/20 0.45
HSD17B10 Q99714 2/20 0.41
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 1/20 0.38
KMT2A Q03164 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
NTRK1 P04629 1/20 0.37
F2 P00734 1/20 0.36
PLAU P00749 1/20 0.36
ELANE P08246 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
PKM P14618 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
SCHEMBL6615852 0.86 PDE4A (0.50) ALDH1A1KDM4ESMN1; SMN2RAB9AHSD17B10
SCHEMBL6619842 0.83 HSD17B10 (0.40) ALDH1A1KDM4ESMN1; SMN2RAB9AHSD17B10
SCHEMBL15690134 0.82 KDM4E (0.45) ALDH1A1KDM4ESMN1; SMN2RAB9AHSD17B10
SCHEMBL15538674 0.82 PDE10A (0.45) ALDH1A1KDM4ESMN1; SMN2HSD17B10NTRK1
SCHEMBL6617769 0.76 HPGD (0.47) ALDH1A1KDM4ESMN1; SMN2RAB9AMAPT
SCHEMBL18817005 0.75 CDK5 (0.51) ALDH1A1KDM4ESMN1; SMN2RAB9AMAPT
SCHEMBL15900327 0.73 ALDH1A1 (0.55) ALDH1A1KDM4ESMN1; SMN2RAB9AHSD17B10
SCHEMBL27197675 0.73 PDE4A (0.49) ALDH1A1KDM4ESMN1; SMN2RAB9AHSD17B10
SCHEMBL15833311 0.73 KDM4E (0.41) ALDH1A1KDM4ESMN1; SMN2RAB9AMAPT
SCHEMBL15690003 0.72 KDM4E (0.47) ALDH1A1KDM4ESMN1; SMN2KMT2ANTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2854804-B1 PYRROLIDINO HETEROCYCLES HOFFMANN LA ROCHE (CH) 2019-11-20 EP disclosed
US-10399985-B2 (Hetero)aryl imidazoles/pyrazoles for treatment of neurological disorders HOFFMANN-LA ROCHE INC. (US) 2019-09-03 US disclosed
EP-3099690-B1 (HETERO)ARYL IMIDAZOLES/PYRAZOLES FOR TREATMENT OF NEUROLOGICAL DISORDERS HOFFMANN LA ROCHE (CH) 2019-08-28 EP disclosed
US-9617271-B2 Triazolo compounds HOFFMANN-LA ROCHE INC. (US) 2017-04-11 US disclosed
US-9540384-B2 Pyrrolidino heterocycles HOFFMANN-LA ROCHE, INC. (US) 2017-01-10 US disclosed
EP-3099690-A1 (HETERO)ARYL IMIDAZOLES/PYRAZOLES FOR TREATMENT OF NEUROLOGICAL DISORDERS F. Hoffmann-La Roche AG (CH) 2016-12-07 EP disclosed
US-20160333018-A1 (HETERO)ARYL IMIDAZOLES/PYRAZOLES FOR TREATMENT OF NEUROLOGICAL DISORDERS HOFFMANN-LA ROCHE INC. (US) 2016-11-17 US disclosed
EP-2916842-B1 TRIAZOLO COMPOUNDS HOFFMANN LA ROCHE (CH) 2016-10-19 EP disclosed
EP-2916842-A1 TRIAZOLO COMPOUNDS F. Hoffmann-La Roche AG (CH) 2015-09-16 EP disclosed
US-20150232472-A1 TRIAZOLO COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2015-08-20 US disclosed
WO-2015113980-A1 (HETERO)ARYL IMIDAZOLES/PYRAZOLES FOR TREATMENT OF NEUROLOGICAL DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2015-08-06 WO disclosed
EP-2854804-A1 PYRROLIDINO HETEROCYCLES F. Hoffmann-La Roche AG (CH) 2015-04-08 EP disclosed
US-20150087644-A1 PYRROLIDINO HETEROCYCLES HOFFMANN-LA ROCHE INC. (US) 2015-03-26 US disclosed
WO-2014072261-A1 TRIAZOLO COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-05-15 WO disclosed
WO-2013178569-A1 PYRROLIDINO HETEROCYCLES F. HOFFMANN-LA ROCHE AG (CH) 2013-12-05 WO 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-20150087644-A1 PYRROLIDINO HETEROCYCLES PDE3A, PDE3B, PDE2A ALDH1A1 159/4885KDM4E 1810/4885SMN1; SMN2 2959/4885
US-20150232472-A1 TRIAZOLO COMPOUNDS GRIK5, NLN, GRIN2C ALDH1A1 605/4885KDM4E 4142/4885SMN1; SMN2 60/4885
US-10399985-B2 (Hetero)aryl imidazoles/pyrazoles for treatment of neurological disorders GRIN2B, MAOB, GRIN2A ALDH1A1 259/4885KDM4E 2694/4885SMN1; SMN2 81/4885
US-20160333018-A1 (HETERO)ARYL IMIDAZOLES/PYRAZOLES FOR TREATMENT OF NEUROLOGICAL DISORDERS GRIN2B, MAOB, GRIN2A ALDH1A1 259/4885KDM4E 2694/4885SMN1; SMN2 81/4885

“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.