SCHEMBL12352483

SCHEMBL12352483

CNCCc1c(C)n(-c2ccccc2)c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 1/20 0.56
▸ HDAC6 Q9UBN7 2/20 0.46
▸ KDM4E B2RXH2 4/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ ATM Q13315 2/20 0.46
▸ IL1R1 P14778 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.44
▸ MAPT P10636 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ PLA2G4A P47712 1/20 0.44
▸ GFER P55789 1/20 0.44
▸ FOLH1 Q04609 1/20 0.43
▸ CYP1A2 P05177 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ GLA P06280 1/20 0.42

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
SCHEMBL14758394 0.84 IL1R1 (0.67) PLA2G2AKDM4EL3MBTL1ATMIL1R1
SCHEMBL24856039 0.83 ALDH1A1 (0.58) PLA2G2AHDAC6KDM4EL3MBTL1ATM
SCHEMBL5226018 0.81 IL1R1 (0.68) PLA2G2AHDAC6KDM4EL3MBTL1ATM
Hydrochloric Acid SCHEMBL31109106 0.80 ALDH1A1 (0.68) PLA2G2AHDAC6KDM4EL3MBTL1ATM
SCHEMBL11379057 0.71 KDM4E (0.61) PLA2G2AKDM4EL3MBTL1ATMIL1R1
SCHEMBL8805617 0.71 PLA2G2A (0.44) PLA2G2AHDAC6KDM4EL3MBTL1ATM
SCHEMBL18811821 0.70 KDM4E (0.59) PLA2G2AKDM4EL3MBTL1ATMIL1R1
SCHEMBL20242384 0.69 GFER (0.59) PLA2G2AHDAC6KDM4EALDH1A1MAPT
SCHEMBL22248344 0.68 KDM4E (0.57) PLA2G2AHDAC6KDM4EL3MBTL1ATM
SCHEMBL18069806 0.68 KDM4E (0.57) PLA2G2AKDM4EL3MBTL1ATMIL1R1

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
US-7989458-B2 Pyrimidine derivatives as alk-5 inhibitors NOVARTIS AG (CH) 2011-08-02 — — US disclosed
US-7989458-B2 Pyrimidine derivatives as alk-5 inhibitors NOVARTIS AG (CH) 2011-08-02 — — US disclosed
US-20090209539-A1 Pyrimidine derivatives as alk-5 Inhibitors NOVARTIS AG (CH) 2009-08-20 — — US disclosed
US-20090209539-A1 Pyrimidine derivatives as alk-5 Inhibitors NOVARTIS AG (CH) 2009-08-20 — — US disclosed
EP-1878733-A1 Pyrimidine derivatives as ALK-5 inhibitors Novartis AG (CH) 2008-01-16 — — EP 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-20090209539-A1 Pyrimidine derivatives as alk-5 Inhibitors ALK, ACVR1, MUSK PLA2G2A 4522/4885HDAC6 4473/4885KDM4E 853/4885

“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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