SCHEMBL8229220

SCHEMBL8229220

N#Cc1cncc2cccnc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
KDM4D Q6B0I6 1/20 0.44
MMP2 P08253 2/20 0.43
TSHR P16473 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CCR1 P32246 2/20 0.43
CCR5 P51681 2/20 0.43
CCR8 P51685 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GMNN O75496 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
HSP90AA1 P07900 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
MMP9 P14780 1/20 0.43
ALOX15 P16050 1/20 0.43
NFKB1 P19838 1/20 0.43
MMP8 P22894 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
SCHEMBL4063821 0.83 CCR1 (0.45) HTTMMP2TSHRSMN1; SMN2CCR1
SCHEMBL2012290 0.81 KDM4E (0.43) HTTMMP2TSHRSMN1; SMN2CCR1
SCHEMBL29398699 0.79 SLC40A1 (0.55) HTTKDM4DMMP2TSHRSMN1; SMN2
SCHEMBL1341511 0.79 SLC40A1 (0.55) HTTKDM4DMMP2TSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL27976997 0.77 SLC40A1 (0.54) HTTKDM4DMMP2TSHRSMN1; SMN2
SCHEMBL20392681 0.75 CCR1 (0.41) HTTKDM4DMMP2TSHRSMN1; SMN2
SCHEMBL4580378 0.75 ALDH1A1 (0.41) HTTMMP2TSHRSMN1; SMN2CCR1
SCHEMBL31509775 0.75 LMNA (0.48) HTTMMP2TSHRSMN1; SMN2CCR1
SCHEMBL112474 0.75 LMNA (0.48) HTTMMP2TSHRSMN1; SMN2CCR1
SCHEMBL27153712 0.74 HTT (0.51) HTTKDM4DCYP3A4TDP1SLC40A1

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
WO-2013109738-A1 NOVEL PHOSPHODIESTERASE INHIBITORS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2013-07-25 WO disclosed
US-7829584-B2 Pyridines and pyridine N-oxides as modulators of thrombin JANSSEN PHARMACEUTICA NV (BE) 2010-11-09 US disclosed
US-20070225282-A1 PYRIDINES AND PYRIDINE N-OXIDES AS MODULATORS OF THROMBIN JANSSEN PHARMACEUTICA, N.V. (BE) 2007-09-27 US disclosed
WO-2007109459-A2 PYRIDINES AND PYRIDINE N-OXIDES AS MODULATORS OF THROMBIN JANSSEN PHARMACEUTICA, NV (BE) 2007-09-27 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-20070225282-A1 PYRIDINES AND PYRIDINE N-OXIDES AS MODULATORS OF THROMBIN F2, F11, TBXAS1 HTT 2744/4885KDM4D 1918/4885MMP2 708/4885

“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.