SCHEMBL9920523

SCHEMBL9920523

Cc1cccc(-c2cc(C)nc(C)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.53
KDM4E B2RXH2 1/20 0.53
NPC1 O15118 1/20 0.53
XDH P47989 1/20 0.49
KMO O15229 1/20 0.47
IDO1 P14902 1/20 0.47
METAP2 P50579 1/20 0.47
PFKFB3 Q16875 3/20 0.46
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
ENPP3 O14638 1/20 0.44
SDHB P21912 1/20 0.43
VCP P55072 1/20 0.43
ATP4A P20648 1/20 0.42
ATP4B P51164 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
SCHEMBL12264969 0.90 XDH (0.53) RAB9AKDM4ENPC1XDHKMO
SCHEMBL9920499 0.88 TSHR (0.42) RAB9AKDM4ENPC1
SCHEMBL17051653 0.85 KMT2A (0.53) RAB9AKDM4ENPC1XDHKMO
SCHEMBL3851837 0.82 RAB9A (0.58) RAB9AKDM4ENPC1XDHKMO
SCHEMBL14970094 0.82 TSHR (0.56) RAB9AKDM4ENPC1
SCHEMBL17051671 0.81 LMNA (0.56) RAB9AKDM4ENPC1XDHKMO
SCHEMBL28636416 0.81 HSD17B2 (0.52) METAP2PFKFB3
SCHEMBL1358738 0.81 RAB9A (0.61) RAB9AKDM4ENPC1XDHKMO
SCHEMBL19397318 0.81 KMT2A (0.54) RAB9AKDM4ENPC1XDHENPP3
SCHEMBL603720 0.81 XDH (0.46) RAB9AKDM4ENPC1XDHKMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362246-B2 Bispyrimidines for electronic applications BASF SE (DE) 2013-01-29 US disclosed
US-20120149904-A1 BISPYRIMIDINES FOR ELECTRONIC APPLICATIONS BASF SE (DE) 2012-06-14 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-20120149904-A1 BISPYRIMIDINES FOR ELECTRONIC APPLICATIONS DPYD, TYMP, TYMS RAB9A 2237/4885KDM4E 1622/4885NPC1 4490/4885

“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.