SCHEMBL3890285

SCHEMBL3890285

O=C1NC(c2cccnc2)Cc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP19A1 P11511 2/20 0.46
PKN1 Q16512 1/20 0.45
PKN2 Q16513 1/20 0.45
CHRNB2 P17787 5/20 0.45
CHRNA4 P43681 5/20 0.45
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
PDPK1 O15530 1/20 0.42
PARP1 P09874 1/20 0.42
PARP10 Q53GL7 1/20 0.42
PARP11 Q9NR21 1/20 0.42
CHRNA7 P36544 4/20 0.42
LRRK2 Q5S007 1/20 0.42
TNKS2 Q9H2K2 1/20 0.41

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
SCHEMBL4071971 0.82 PKN1 (0.54) TSHRMEN1KMT2AKDM4EMAPT
SCHEMBL7900671 0.78 CHRNB2 (0.50) MEN1KMT2AKDM4EMAPTCYP19A1
SCHEMBL29923296 0.78 TSHR (0.49) TSHRKDM4EMAPTCYP19A1PKN1
SCHEMBL156842 0.77 CHRNB2 (0.56) TSHRMEN1KMT2AKDM4EMAPT
SCHEMBL21261501 0.76 CYP19A1 (0.46) MEN1KMT2AKDM4EMAPTCYP19A1
SCHEMBL6124153 0.76 TSHR (0.53) TSHRMAPTPKN1PKN2CA12
SCHEMBL31751995 0.76 CYP19A1 (0.59) MEN1KMT2AKDM4EMAPTL3MBTL1
SCHEMBL30821409 0.72 PARP1 (0.57) TSHRMAPTPKN1PKN2CA12
SCHEMBL29923587 0.72 TSHR (0.43) TSHRCYP19A1PKN1PKN2CA12
SCHEMBL23107883 0.72 PRCP (0.69) MEN1KMT2ACYP19A1CHRNB2CHRNA4

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-20090226422-A1 Chemical Inhibitors of Inhibitors of Differentiation ANGIOGENEX 2009-09-10 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-20090226422-A1 Chemical Inhibitors of Inhibitors of Differentiation BRAF, MAPK1, RAF1 TSHR 2132/4885MEN1 3968/4885KMT2A 3273/4885

“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.