SCHEMBL6324682

SCHEMBL6324682

COc1cc2c(NCc3cc(C#N)ccc3OCc3ccccc3)nccc2cc1C(=O)N1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.43
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
CDK1 P06493 3/20 0.40
SCN9A Q15858 1/20 0.40
APP P05067 3/20 0.39
TLR9 Q9NR96 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
PPIA P62937 1/20 0.38
NSD2 O96028 1/20 0.38
HPGD P15428 3/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 2/20 0.37

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
SCHEMBL6326781 0.81 SLC6A9 (0.43) SLC6A9NPC1RAB9ASCN9AAPP
SCHEMBL6332087 0.81 CDK1 (0.50) SLC6A9CDK1HPGDKDM4EALDH1A1
SCHEMBL6321686 0.77 CDK1 (0.44) SLC6A9NPC1RAB9ACDK1HPGD
SCHEMBL7126958 0.77 MET (0.46) SLC6A9NPC1RAB9ASCN9AAPP
SCHEMBL6326969 0.76 CDK8 (0.46) NPC1RAB9ACDK1HPGDALDH1A1
SCHEMBL6325015 0.75 PDCD1 (0.40) PPIA
SCHEMBL6321536 0.75 MRGPRX4 (0.38) PPIAHTTLMNA
SCHEMBL6554549 0.74 SLC6A9 (0.46) SLC6A9NPC1RAB9A
Hydrochloric Acid SCHEMBL6554810 0.73 SLC6A9 (0.45) SLC6A9NPC1RAB9A
SCHEMBL2995355 0.72 F10 (0.43) HPGDALDH1A1HTTLMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1562947-A1 4-AMINO-5-PHENYL-7-CYCLOHEXYL-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES Novartis AG (CH) 2005-08-17 EP claimed
WO-2004043962-A1 4-AMINO-5-PHENYL-7-CYCLOHEXYL-PYRROLO[2,3-d]PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2004-05-27 WO claimed
US-10435225-B2 Heat sealable food packing films, methods for the production thereof, and food packages comprising heat sealable food packaging films ADVANSIX RESINS & CHEMICALS LLC (US) 2019-10-08 US disclosed
US-20170029196-A1 HEAT SEALABLE FOOD PACKING FILMS, METHODS FOR THE PRODUCTION THEREOF, AND FOOD PACKAGES COMPRISING HEAT SEALABLE FOOD PACKAGING FILMS ADVANSIX RESINS & CHEMICALS LLC 2017-02-02 US disclosed
US-6942908-B2 Antifog/barrier laminate for use in meat packaging HONEYWELL INTERNATIONAL INC. (US) 2005-09-13 US disclosed
US-20050107409-A1 Aromatic bicyclic compounds, preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-05-19 US disclosed
US-20050101212-A1 Thin film lamination delamination process to create very thin film on fabric HONEYWELL INTERNATIONAL INC. 2005-05-12 US disclosed
WO-2004080970-A1 NOVEL BICYCLIC AROMATIC COMPOUNDS, THE PRODUCTION AND USE THEREOF IN THE FORM OF DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-09-23 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 (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-20050107409-A1 Aromatic bicyclic compounds, preparation thereof and their use as pharmaceutical compositions F12, F2, F11 SLC6A9 3958/4885NPC1 1892/4885RAB9A 1842/4885

“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.