SCHEMBL13845690

SCHEMBL13845690

CCOC(=O)c1nc(NC(=O)c2cccn2C)cn1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 1/20 0.50
NPC1 O15118 3/20 0.47
HPGD P15428 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
POLB P06746 1/20 0.47
PKM P14618 1/20 0.47
KDM4E B2RXH2 1/20 0.44
KMT2A Q03164 1/20 0.43
MAPT P10636 2/20 0.42
ALDH1A1 P00352 3/20 0.41
CSNK1D P48730 1/20 0.41
CSNK1E P49674 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CASP3 P42574 2/20 0.40
SENP8 Q96LD8 2/20 0.40
SENP7 Q9BQF6 2/20 0.40
SENP6 Q9GZR1 2/20 0.40
TAS2R8 Q9NYW2 1/20 0.40

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
SCHEMBL10143997 0.83 SMN1; SMN2 (0.53) RPS6KA3NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL13845733 0.82 RAB9A (0.50) NPC1HPGDRAB9ASMN1; SMN2POLB
SCHEMBL14543365 0.82 RPS6KA3 (0.51) RPS6KA3NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL24510738 0.80 HDAC1 (0.53) RPS6KA3NPC1RAB9APOLBKDM4E
SCHEMBL14072200 0.80 RPS6KA3 (0.47) RPS6KA3NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL14072168 0.80 RPS6KA3 (0.48) RPS6KA3NPC1HPGDRAB9APOLB
SCHEMBL13845779 0.78 RPS6KA3 (0.48) RPS6KA3NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL14084721 0.78 RPS6KA3 (0.46) RPS6KA3NPC1RAB9ASMN1; SMN2POLB
SCHEMBL14072191 0.78 RPS6KA3 (0.47) RPS6KA3NPC1RAB9ASMN1; SMN2POLB
SCHEMBL13879891 0.78 RPS6KA3 (0.45) RPS6KA3HPGDPOLBKDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637664-B2 Alkyl 4- [4- (5-oxo-2,3,5, 11a-tetrahydo-5H-pyrrolo [2, 1-c] [1,4] benzodiazepine-8-yloxy)-butyrylamino]-1H-pyrrole-2-carboxylate derivatives and related compounds for the treatment of a proliferative disease SPIROGEN SARL (CH) 2014-01-28 US disclosed
WO-2009060215-A1 POLYAMIDES SPIROGEN LIMITED (GB) 2009-05-14 WO disclosed
US-20080214525-A1 Alkyl 4- [4- (5-Oxo-2,3,5, 11A-Tetrahydo-5H-Pyrrolo [2, 1-C] [1,4] Benzodiazepine-8-Yloxy) -Butyrylamino]-1H-Pyrrole-2-Carboxylate Derivatives and Related Compounds For the Treatment of a Proliferative Disease SPIROGEN LIMITED (GB) 2008-09-04 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-20080214525-A1 Alkyl 4- [4- (5-Oxo-2,3,5, 11A-Tetrahydo-5H-Pyrrolo [2, 1-C] [1,4] Benzodiazepine-8-Yloxy) -Butyrylamino]-1H-Pyrrole-2-Carboxylate Derivatives and Related Compounds For the Treatment of a Proliferative Disease CCNY, NR0B1, CNR1 RPS6KA3 1609/4885NPC1 1323/4885HPGD 2315/4885

“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.