SCHEMBL2037286

SCHEMBL2037286

CCc1cc(CN)ccc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 3/20 0.46
CSNK2A2 P19784 1/20 0.46
CSNK2B P67870 1/20 0.46
CSNK2A3 Q8NEV1 1/20 0.46
ALDH1A1 P00352 3/20 0.46
POLB P06746 2/20 0.46
MAPT P10636 1/20 0.46
BACE1 P56817 1/20 0.44
LOXL2 Q9Y4K0 2/20 0.41
PSIP1 O75475 1/20 0.41
ATP4A P20648 1/20 0.38
ATP4B P51164 1/20 0.38
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
SKP2 Q13309 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
DHFR P00374 1/20 0.37
HTT P42858 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL394746 0.86 ALDH1A1 (0.48) ALDH1A1POLBMAPTBACE1ATP4A
SCHEMBL2154431 0.84 BACE1 (0.50) ALDH1A1POLBMAPTBACE1ATP4A
SCHEMBL237448 0.84 ALDH1A1 (0.50) ALDH1A1POLBMAPTBACE1ATP4A
SCHEMBL17196243 0.84 LOXL2 (0.46) POLBMAPTLOXL2GAAPKM
SCHEMBL10061520 0.83 TAAR1 (0.41) CSNK2A1CSNK2A2CSNK2BCSNK2A3ALDH1A1
SCHEMBL1696358 0.82 CSNK2A1 (0.49) CSNK2A1CSNK2A2CSNK2BCSNK2A3BACE1
SCHEMBL9309388 0.81 SKP2 (0.48) ALDH1A1POLBMAPTBACE1ATP4A
SCHEMBL14864128 0.80 CSNK2A1 (0.47) CSNK2A1CSNK2A2CSNK2BCSNK2A3BACE1
SCHEMBL13443568 0.80 CSNK2A1 (0.47) CSNK2A1CSNK2A2CSNK2BCSNK2A3BACE1
SCHEMBL11855440 0.79 BACE1 (0.46) ALDH1A1POLBMAPTBACE1ATP4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4013500-B1 TRICYCLIC AKR1C3 DEPENDENT KARS INHIBITORS NOVARTIS AG (CH) 2023-10-25 EP disclosed
EP-2516387-B1 INHIBITORS OF CYCLOPHILINS FOR USE IN THE PREVENTION AND/OR THE TREATMENT OF VIRAL PATHOLOGIES OR INFECTIONS INSTITUT NATIONAL DE LA SANTÉ ET DE LA RECH MÉDICALE (INSERM) (FR) 2018-02-21 EP disclosed
CN-102811998-B Novel cyclophilin inhibitors and uses thereof INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2016-03-30 CN disclosed
US-8901295-B2 Inhibitors of cyclophilins and uses thereof INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2014-12-02 US disclosed
US-8802666-B2 Inhibitors of cyclophilins and uses thereof INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2014-08-12 US disclosed
US-20140179687-A1 New Inhibitors of Cyclophilins and Uses Thereof INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2014-06-26 US disclosed
US-20130018044-A1 NEW INHIBITORS OF CYCLOPHILINS AND USES THEREOF INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2013-01-17 US disclosed
EP-2516387-A2 NEW INHIBITORS OF CYCLOPHILINS AND USES THEREOF INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2012-10-31 EP disclosed
WO-2011076784-A2 NEW INHIBITORS OF CYCLOPHILINS AND USES THEREOF INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2011-06-30 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-20140179687-A1 New Inhibitors of Cyclophilins and Uses Thereof FKBP3, FKBP4, FKBP5 CSNK2A1 2214/4885CSNK2A2 2308/4885CSNK2B 2159/4885
US-20130018044-A1 NEW INHIBITORS OF CYCLOPHILINS AND USES THEREOF FKBP3, FKBP4, FKBP5 CSNK2A1 2214/4885CSNK2A2 2308/4885CSNK2B 2159/4885

“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.