SCHEMBL13404372

SCHEMBL13404372

O=c1[nH]ccnc1N1CCN(Cc2ccc(-c3ccccc3)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
TSHR P16473 2/20 0.59
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
HTR1A P08908 1/20 0.47
HTR2C P28335 1/20 0.47
HTR3A P46098 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
HSD11B1 P28845 1/20 0.47
RECQL P46063 1/20 0.46
LMNA P02545 3/20 0.45
KDM4E B2RXH2 2/20 0.45
USP2 O75604 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ACHE P22303 1/20 0.44
CHKA P35790 1/20 0.44
TRPC5 Q9UL62 1/20 0.44
ATM Q13315 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL13404400 0.90 DRD2 (0.51) ALDH1A1TSHRHTR3EHTR3BHTR1A
SCHEMBL13404388 0.80 HTR1A (0.51) ALDH1A1TSHRHTR1ALMNAHSD17B10
SCHEMBL13404371 0.76 JAK1 (0.50) ALDH1A1TSHRLMNAKDM4EACHE
SCHEMBL13404452 0.75 TSHR (0.58) ALDH1A1TSHRHTR3EHTR3BHTR1A
SCHEMBL3585542 0.74 ALDH1A1 (1.00) ALDH1A1TSHRHTR1AHTR3AKDM4E
SCHEMBL13219071 0.72 ALDH1A1 (0.74) ALDH1A1TSHRLMNAKDM4EMAPK1
SCHEMBL13306861 0.72 TSHR (0.57) ALDH1A1TSHRKDM4EUSP2HSD17B10
SCHEMBL16226080 0.72 SIGMAR1 (0.78) ALDH1A1TSHRLMNACHKAMAPK1
SCHEMBL12861757 0.71 DRD4 (0.79) ALDH1A1TSHRHTR1AKDM4ECHKA
SCHEMBL13404374 0.70 IP6K1 (0.50) KDM4BKDM5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105694-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE ANDRES-GIL JOSE IGNACIO 2010-04-29 US disclosed
US-20100105694-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE ANDRES-GIL JOSE IGNACIO 2010-04-29 US disclosed
EP-2091942-B1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE JANSSEN PHARMACEUTICA NV (BE) 2010-02-17 EP disclosed
WO-2008043775-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE JANSSEN PHARMACEUTICA NV (BE) 2008-04-17 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-20100105694-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE ADRA2C, CHRNA5, ADRB2 ALDH1A1 541/4885TSHR 2073/4885HTR3E 291/4885

“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.