SCHEMBL17815682

SCHEMBL17815682

NCCCNc1ncnc(Cl)c1N

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.56
GALR3 O60755 1/20 0.56
KDM4C Q9H3R0 1/20 0.48
CHEK1 O14757 1/20 0.43
CHEK2 O96017 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
STK17A Q9UEE5 10/20 0.40
STK17B O94768 8/20 0.40
HRH3 Q9Y5N1 1/20 0.39
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
Hydrochloric Acid SCHEMBL17802556 0.98 RAB9A (0.55) RAB9AGALR3KDM4CCHEK1CHEK2
SCHEMBL17815686 0.91 RAB9A (0.60) RAB9AGALR3KDM4CCYP1A2CYP2D6
SCHEMBL17815674 0.91 RAB9A (0.64) RAB9AGALR3KDM4CCYP1A2CYP2D6
SCHEMBL11595017 0.85 RAB9A (0.58) RAB9AGALR3KDM4CCYP1A2STK17A
SCHEMBL14466445 0.85 GALR3 (0.58) RAB9AGALR3KDM4CKDM4ELMNA
SCHEMBL10338024 0.83 RAB9A (0.57) RAB9AGALR3KDM4CCYP1A2STK17A
Hydrochloric Acid SCHEMBL9765063 0.82 RAB9A (0.56) RAB9AGALR3KDM4CCYP1A2STK17A
SCHEMBL9690935 0.81 RAB9A (0.61) RAB9AGALR3KDM4CCHEK1CYP1A2
SCHEMBL4057859 0.81 GALR3 (0.61) RAB9AGALR3KDM4CMAPTGAA
SCHEMBL17802581 0.79 RAB9A (0.63) RAB9AGALR3KDM4CCYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019238786-A1 MODULATORS OF STIMULATOR OF INTERFERON GENES (STING) Ryvu Therapeutics S.A. (PL) 2019-12-19 WO disclosed
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
US-20170362239-A1 COMPOUNDS FOR TREATING CYSTIC FIBROSIS UNIVERSITE PIERRE ET MARIE CURIE - PARIS 6 (UPMC) (FR) 2017-12-21 US 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 2141/4885GALR3 2347/4885KDM4C 2625/4885
US-20170362239-A1 COMPOUNDS FOR TREATING CYSTIC FIBROSIS CFTR, ABCB11, SLC26A4 RAB9A 2141/4885GALR3 2347/4885KDM4C 2625/4885

“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.