SCHEMBL6264

SCHEMBL6264

Cn1nnc(-c2ccc(C=O)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
ALDH1A1 P00352 1/20 0.40
KCNJ1 P48048 1/20 0.40
LMNA P02545 1/20 0.38
CYP2A6 P11509 1/20 0.38
BRD4 O60885 1/20 0.37
LTA4H P09960 1/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36

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
SCHEMBL3406805 0.82 SMN1; SMN2 (0.43) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL6185978 0.80 TRIM24 (0.43) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL21774158 0.80 LMNA (0.47) SMN1; SMN2LMNALTA4HUSP2TP53
SCHEMBL2644715 0.79 SMN1; SMN2 (0.46) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL7061698 0.79 LMNA (0.63) SMN1; SMN2NPC1RAB9AALDH1A1LMNA
SCHEMBL6187421 0.78 AOC3 (0.47) SMN1; SMN2RAB9AALDH1A1KCNJ1LMNA
SCHEMBL21774267 0.78 NPC1 (0.46) SMN1; SMN2NPC1RAB9AALDH1A1KCNJ1
SCHEMBL5775 0.77 LTA4H (0.51) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL13841588 0.77 NPC1 (0.54) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL2722827 0.77 MAPK14 (0.40)

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 103 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11535614-B2 Dihydropyrrolopyridine inhibitors of ROR-gamma VITAE PHARMACEUTICALS, LLC (US) 2022-12-27 US disclosed
US-20210238174-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC 2021-08-05 US disclosed
US-10807980-B2 Dihydropyrrolopyridine inhibitors of ROR-gamma VITAE PHARMACEUTICALS, LLC (US) 2020-10-20 US disclosed
US-20200172535-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC 2020-06-04 US disclosed
US-10399976-B2 Dihydropyrrolopyridine inhibitors of ROR-gamma VITAE PHARMACEUTICALS, LLC (US) 2019-09-03 US disclosed
EP-2544679-B1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORP (US) 2019-05-15 EP disclosed
EP-2544679-B1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORP (US) 2019-05-15 EP disclosed
US-10106516-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2018-10-23 US disclosed
US-9868748-B2 Thiazolopyrrolidine inhibitors of ROR- γ VITAE PHARMACEUTICALS, INC. (US) 2018-01-16 US disclosed
US-9868748-B2 Thiazolopyrrolidine inhibitors of ROR- γ VITAE PHARMACEUTICALS, INC. (US) 2018-01-16 US disclosed
EP-0929553-A1 PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Novartis AG (CH) 1999-07-21 EP disclosed
EP-0900210-A1 ANTIVIRALLY ACTIVE HETEROCYCLIC AZAHEXANE DERIVATIVES Novartis AG (CH) 1999-03-10 EP disclosed
US-5849911-A Antivirally active heterocyclic azahexane derivatives NOVARTIS FINANCE CORPORATION (US) 1998-12-15 US disclosed
CN-1184405-A Insecticidal N -(substituted arylmethyl) -4 -[bis (substituted phenyl or pyridyl) methyl] piperidines FMC CORP (US) 1998-06-10 CN disclosed
EP-0844825-A1 INSECTICIDAL N-(SUBSTITUTED ARYLMETHYL)-4- BIS(SUBSTITUTED PHENYL OR PYRIDYL)METHYL]PIPERIDINES FMC CORPORATION (US) 1998-06-03 EP disclosed
WO-1998014450-A1 PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF NOVARTIS AG (CH) 1998-04-09 WO disclosed
WO-1997040029-A1 ANTIVIRALLY ACTIVE HETEROCYCLIC AZAHEXANE DERIVATIVES NOVARTIS AG (CH) 1997-10-30 WO disclosed
US-5639763-A FOR AGRICULTURAL APPLICATIONS FMC CORPORATION (US) 1997-06-17 US disclosed
WO-1996036228-A1 INSECTICIDAL N-(SUBSTITUTED ARYLMETHYL)-4-[BIS(SUBSTITUTED PHENYL OR PYRIDYL)METHYL]PIPERIDINES FMC CORPORATION (US) 1996-11-21 WO disclosed
US-5569664-A AGRICULTURAL INSECTICIDES FMC CORPORATION (US) 1996-10-29 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 (6 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-20200172535-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA RORC, RORB, RORA SMN1; SMN2 3625/4885NPC1 1355/4885NFKB1 897/4885
US-10106516-B2 PDE10 inhibitors and related compositions and methods PDE10A, PDE9A, PDE7A SMN1; SMN2 527/4885NPC1 2865/4885NFKB1 3286/4885
US-10399976-B2 Dihydropyrrolopyridine inhibitors of ROR-gamma RORC, RORB, RORA SMN1; SMN2 3537/4885NPC1 1504/4885NFKB1 1164/4885
US-20210238174-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA RORC, RORB, RORA SMN1; SMN2 3625/4885NPC1 1355/4885NFKB1 897/4885
US-10807980-B2 Dihydropyrrolopyridine inhibitors of ROR-gamma RORC, RORB, RORA SMN1; SMN2 3625/4885NPC1 1355/4885NFKB1 897/4885
US-11535614-B2 Dihydropyrrolopyridine inhibitors of ROR-gamma RORC, RORB, RORA SMN1; SMN2 3625/4885NPC1 1355/4885NFKB1 897/4885

“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.