SCHEMBL17802597

SCHEMBL17802597

CCOC(=O)c1ccc(Nc2ncnc(OCC)c2N)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.60
▸ KDM4E B2RXH2 6/20 0.58
▸ ALDH1A1 P00352 6/20 0.58
▸ HPGD P15428 5/20 0.58
▸ KMT2A Q03164 4/20 0.58
▸ NPC1 O15118 4/20 0.58
▸ HSD17B10 Q99714 3/20 0.58
▸ TP53 P04637 3/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ MAPT P10636 5/20 0.54
▸ CYP1A2 P05177 2/20 0.51
▸ CYP3A4 P08684 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ MAOA P21397 1/20 0.51
▸ RXFP1 Q9HBX9 2/20 0.51
▸ MEN1 O00255 3/20 0.50
▸ NFKB1 P19838 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ NFKB2 Q00653 1/20 0.50
▸ RELA Q04206 1/20 0.50

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
SCHEMBL10959485 0.80 RAB9A (0.65) RAB9AKDM4EALDH1A1HPGDKMT2A
SCHEMBL527470 0.75 RAB9A (0.67) RAB9AKDM4EALDH1A1HPGDKMT2A
SCHEMBL12124929 0.75 RAB9A (0.69) RAB9AKDM4EALDH1A1HPGDKMT2A
SCHEMBL17802619 0.74 MKNK1 (0.51) RAB9AKMT2ANPC1TP53MAPT
SCHEMBL16177399 0.74 KDM4E (0.57) RAB9AKDM4EALDH1A1HPGDKMT2A
SCHEMBL10958218 0.74 RAB9A (0.57) RAB9AKDM4EALDH1A1HPGDKMT2A
SCHEMBL30702651 0.73 RAB9A (0.68) RAB9AKDM4EALDH1A1HPGDKMT2A
SCHEMBL6662871 0.72 KDR (0.77) RAB9AKDM4EALDH1A1HPGDEGFR
SCHEMBL9368387 0.71 RAB9A (0.54) RAB9AKDM4EALDH1A1HPGDKMT2A
SCHEMBL9373518 0.71 RAB9A (0.54) RAB9AKDM4EALDH1A1HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3226861-A2 COMPOUNDS FOR TREATING CYSTIC FIBROSIS Centre National de la Recherche Scientifique (CNRS) (FR) 2017-10-11 — — EP claimed
WO-2016087665-A2 COMPOUNDS FOR TREATING CYSTIC FIBROSIS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2016-06-09 — — WO claimed
US-10414768-B2 Compounds for treating cystic fibrosis CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2019-09-17 — — US disclosed
US-20170362239-A1 COMPOUNDS FOR TREATING CYSTIC FIBROSIS UNIVERSITE PIERRE ET MARIE CURIE - PARIS 6 (UPMC) (FR) 2017-12-21 — — US disclosed
EP-3226861-A2 COMPOUNDS FOR TREATING CYSTIC FIBROSIS Centre National de la Recherche Scientifique (CNRS) (FR) 2017-10-11 — — EP disclosed
WO-2016087665-A2 COMPOUNDS FOR TREATING CYSTIC FIBROSIS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2016-06-09 — — 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 (2 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-10414768-B2 Compounds for treating cystic fibrosis CFTR, ABCB11, SLC26A4 RAB9A 2141/4885KDM4E 2899/4885ALDH1A1 186/4885
US-20170362239-A1 COMPOUNDS FOR TREATING CYSTIC FIBROSIS CFTR, ABCB11, SLC26A4 RAB9A 2141/4885KDM4E 2899/4885ALDH1A1 186/4885

“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.

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