SCHEMBL12609263

SCHEMBL12609263

CC(=O)Nc1cnc(C)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.56
L3MBTL1 Q9Y468 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HSD17B10 Q99714 2/20 0.46
HTT P42858 1/20 0.46
NAPRT Q6XQN6 1/20 0.46
KMT2A Q03164 8/20 0.45
MEN1 O00255 7/20 0.45
MAPT P10636 4/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
CA12 O43570 1/20 0.45
BRD4 O60885 1/20 0.45
NR1I2 O75469 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
MB P02144 1/20 0.45
CYP1A1 P04798 1/20 0.45
CA3 P07451 1/20 0.45
CYP3A4 P08684 1/20 0.45

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
SCHEMBL459529 0.84 P4HTM (0.42) TDP1SMN1; SMN2MAPTALDH1A1RAB9A
SCHEMBL30421048 0.82 KMT2A (0.50) TDP1L3MBTL1SMN1; SMN2HSD17B10HTT
SCHEMBL9931618 0.80 KCNQ3 (0.49) TDP1L3MBTL1SMN1; SMN2HSD17B10HTT
SCHEMBL16132058 0.80 TDP1 (0.48) TDP1L3MBTL1SMN1; SMN2HSD17B10HTT
SCHEMBL30863732 0.80 KIF11 (0.52) SMN1; SMN2HSD17B10KMT2AMEN1MAPT
SCHEMBL19776114 0.80 RAB9A (0.41) TDP1L3MBTL1SMN1; SMN2HTTMAPT
SCHEMBL19776253 0.78 SMN1; SMN2 (0.48) SMN1; SMN2KMT2AMEN1MAPTALDH1A1
SCHEMBL31665506 0.77 KMT2A (0.54) SMN1; SMN2KMT2AMEN1ALDH1A1LMNA
SCHEMBL19126834 0.77 SMN1; SMN2 (0.47) TDP1L3MBTL1SMN1; SMN2HSD17B10HTT
SCHEMBL19300253 0.77 TDP1 (0.46) TDP1L3MBTL1SMN1; SMN2HSD17B10HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174540-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives GRUENENTHAL GMBH (DE) 2023-06-08 US disclosed
WO-2021226276-A2 NAMPT MODULATORS CYTOKINETICS, INC. (US) 2021-11-11 WO disclosed
EP-3419974-B1 PROCESS FOR THE SEPARATION OF ENANTIOMERS OF PIPERAZINE DERIVATIVES ASCENEURON SA (CH) 2021-05-05 EP disclosed
EP-3419976-B1 ACID ADDITION SALTS OF PIPERAZINE DERIVATIVES ASCENEURON SA (CH) 2021-04-07 EP disclosed
US-9790169-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-17 US disclosed
WO-2017144635-A1 PROCESS FOR THE SEPARATION OF ENANTIOMERS OF PIPERAZINE DERIVATIVES ASCENEURON S. A. (CH) 2017-08-31 WO disclosed
WO-2017144637-A1 ACID ADDITION SALTS OF PIPERAZINE DERIVATIVES ASCENEURON S. A. (CH) 2017-08-31 WO disclosed
US-20170231999-A1 IDO INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-08-17 US disclosed
US-9586956-B2 Isoquinoline and naphthyridine derivatives GENENTECH, INC. (US) 2017-03-07 US disclosed
US-20160289171-A1 IDO INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2016-10-06 US disclosed
US-20140343036-A1 ISOQUINOLINE AND NAPHTHYRIDINE DERIVATIVES GENENTECH, INC. (US) 2014-11-20 US disclosed
US-20110118268-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.1]OCTANE DERIVATIVES USEFUL AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2011-05-19 US disclosed
US-20110118268-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.1]OCTANE DERIVATIVES USEFUL AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2011-05-19 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 (5 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-20170231999-A1 IDO INHIBITORS IDO1, IDO2, INMT TDP1 1022/4885L3MBTL1 3687/4885SMN1; SMN2 4280/4885
US-20140343036-A1 ISOQUINOLINE AND NAPHTHYRIDINE DERIVATIVES NQO1, NDUFC2, NDUFV2 TDP1 1701/4885L3MBTL1 4197/4885SMN1; SMN2 2897/4885
US-20110118268-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.1]OCTANE DERIVATIVES USEFUL AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS CHRNA6, CHRNA2, CHRNA10 TDP1 626/4885L3MBTL1 4589/4885SMN1; SMN2 344/4885
US-20160289171-A1 IDO INHIBITORS IDO1, IDO2, INMT TDP1 1022/4885L3MBTL1 3687/4885SMN1; SMN2 4280/4885
US-20230174540-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, PKD2 TDP1 2069/4885L3MBTL1 3333/4885SMN1; SMN2 490/4885

“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.