SCHEMBL8520222

SCHEMBL8520222

Cc1nc2c(N=O)cccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 5/20 0.53
▸ MAPK8 P45983 1/20 0.42
▸ MAPK9 P45984 1/20 0.42
▸ MAPK10 P53779 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ DRD2 P14416 1/20 0.38
▸ DRD4 P21917 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ DHODH Q02127 4/20 0.37
▸ ADRB2 P07550 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ MGAM O43451 2/20 0.35
▸ GAA P10253 2/20 0.35
▸ SI P14410 2/20 0.35
▸ MGAM2 Q2M2H8 2/20 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
SCHEMBL8520766 0.79 NPC1 (0.46) PARP1MAPK8MAPK9MAPK10KDM4E
SCHEMBL353891 0.75 PARP1 (0.56) PARP1MGAMGAASIMGAM2
SCHEMBL20936149 0.75 PARP1 (0.56) PARP1ALDH1A1KDM4ECYP1A2CYP2D6
SCHEMBL13673378 0.75 POLB (0.49) PARP1MAPK8MAPK9MAPK10ALDH1A1
Bromide SCHEMBL5318091 0.73 PARP1 (0.55) PARP1MGAMGAASIMGAM2
SCHEMBL5788740 0.73 PARP1 (0.54) PARP1ALDH1A1KDM4ECYP1A2CYP2D6
SCHEMBL1688039 0.72 SMN1; SMN2 (0.44) PARP1DHODHHTT
SCHEMBL1701339 0.72 PARP1 (0.53) PARP1ALDH1A1KDM4ECYP1A2CYP2D6
SCHEMBL9078885 0.72 PARP1 (0.53) PARP1ALDH1A1KDM4ECYP1A2CYP2D6
SCHEMBL3884588 0.72 PARP1 (0.59) PARP1ALDH1A1KDM4ECYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120129811-A1 TRICYCLIC INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-24 — — US 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-20120129811-A1 TRICYCLIC INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION MMP1, MMP3, MMP13 PARP1 82/4885MAPK8 3506/4885MAPK9 3835/4885

“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.

Send feedback