SCHEMBL3490446

SCHEMBL3490446

Cc1nnc(-c2ccnc(N)c2)o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ NOS3 P29474 1/20 0.46
▸ NOS1 P29475 1/20 0.46
▸ NOS2 P35228 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ S1PR1 P21453 5/20 0.45
▸ TYMS P04818 1/20 0.44
▸ DYRK1A Q13627 3/20 0.44
▸ ATR Q13535 1/20 0.43
▸ TP53 P04637 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ NOTUM Q6P988 1/20 0.40
▸ S1PR3 Q99500 1/20 0.40

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
SCHEMBL21805705 0.79 TLR9 (0.44) KDM4EMEN1NOS3NOS1NOS2
SCHEMBL24921168 0.77 S1PR1 (0.48) KDM4EMEN1KMT2AS1PR1DYRK1A
SCHEMBL25168183 0.76 HDAC6 (0.51) —
SCHEMBL25171422 0.76 HDAC6 (0.51) NOS3NOS2S1PR1TYMSDYRK1A
SCHEMBL3492974 0.74 MAPK10 (0.46) MEN1KMT2ADYRK1ANPC1RAB9A
SCHEMBL1026006 0.74 NPC1 (0.49) KDM4ETP53NPC1ALDH1A1POLB
SCHEMBL12460253 0.74 KDM4E (0.44) KDM4ENOS3NOS2NPC1ALDH1A1
SCHEMBL3910760 0.74 MECP2 (0.69) KDM4EMEN1KMT2ATP53NPC1
SCHEMBL8360193 0.74 PKM (0.71) KDM4EMEN1KMT2AS1PR1TP53
SCHEMBL24921777 0.73 MEN1 (0.39) KDM4EMEN1KMT2AS1PR1NPC1

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-8492378-B2 GSK-3β inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-23 — — US disclosed
US-20100069381-A1 GSK-3BETAINHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-18 — — 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-20100069381-A1 GSK-3BETAINHIBITOR GSK3B, GSK3A, GSKIP KDM4E 1112/4885MEN1 1680/4885NOS3 714/4885

“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.

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