SCHEMBL9920522

SCHEMBL9920522

Cc1cccc(-c2nc(C)cc(C)n2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.66
NR1I3 Q14994 1/20 0.50
LMNA P02545 1/20 0.50
NPC1 O15118 5/20 0.49
KDM4E B2RXH2 1/20 0.49
CASP3 P42574 2/20 0.47
SENP7 Q9BQF6 2/20 0.47
SENP6 Q9GZR1 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
TP53 P04637 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
IDO1 P14902 1/20 0.47
METAP2 P50579 1/20 0.47
POLB P06746 1/20 0.46
ACHE P22303 1/20 0.46
HRH4 Q9H3N8 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL3766697 0.89 RAB9A (0.73) RAB9ANR1I3NPC1CASP3SENP7
SCHEMBL19009535 0.88 RAB9A (0.53) RAB9ALMNANPC1KDM4ESMN1; SMN2
SCHEMBL5487045 0.87 LMNA (0.71) RAB9ANR1I3LMNANPC1KDM4E
SCHEMBL17051651 0.87 RAB9A (0.56) RAB9ANR1I3LMNANPC1KDM4E
SCHEMBL4546968 0.86 RAB9A (0.70) RAB9ANR1I3NPC1CASP3SENP7
SCHEMBL9920494 0.86 LMNA (0.53) RAB9ALMNANPC1KDM4ESMN1; SMN2
SCHEMBL4546940 0.84 RAB9A (0.68) RAB9ANR1I3NPC1CASP3SENP7
SCHEMBL17051671 0.83 LMNA (0.56) RAB9ANR1I3LMNANPC1KDM4E
SCHEMBL4546906 0.83 RAB9A (0.66) RAB9ANR1I3LMNANPC1KDM4E
SCHEMBL2883605 0.83 RAB9A (0.66) RAB9ANR1I3NPC1KDM4ECASP3

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 3 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
EP-2166589-A1 ORGANIC EL DEVICE Idemitsu Kosan Co., Ltd. (JP) 2010-03-24 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-20120149904-A1 BISPYRIMIDINES FOR ELECTRONIC APPLICATIONS DPYD, TYMP, TYMS RAB9A 2237/4885NR1I3 4440/4885LMNA 3854/4885

“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.