SCHEMBL16702598

SCHEMBL16702598

CCOc1ccncc1NC(=O)c1ccnc(Nc2cc(C)ccn2)c1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 18/20 0.70
▸ GSK3A P49840 10/20 0.70
▸ MAPT P10636 8/20 0.67
▸ LMNA P02545 1/20 0.56
▸ NPC1 O15118 1/20 0.53
▸ PKM P14618 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL16702969 0.91 GSK3B (0.66) GSK3BGSK3AMAPT
SCHEMBL16702656 0.88 GSK3B (0.68) GSK3BGSK3AMAPT
SCHEMBL18089149 0.84 GSK3B (0.63) GSK3BGSK3AMAPT
SCHEMBL16702810 0.83 GSK3B (0.62) GSK3BGSK3AMAPTLMNA
SCHEMBL16702906 0.83 GSK3B (0.68) GSK3BGSK3AMAPT
SCHEMBL16703348 0.82 GSK3B (1.00) GSK3BGSK3AMAPT
SCHEMBL16703120 0.81 GSK3B (0.62) GSK3BGSK3AMAPTNPC1RAB9A
SCHEMBL16702962 0.81 GSK3B (0.67) GSK3BGSK3AMAPT
SCHEMBL16711008 0.81 GSK3B (1.00) GSK3BGSK3AMAPT
SCHEMBL16710957 0.81 GSK3B (1.00) GSK3BGSK3AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3066093-B9 GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-02-07 — — EP disclosed
EP-3066093-B9 GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-02-07 — — EP disclosed
EP-3066093-B1 GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-04 — — EP disclosed
EP-3066093-B1 GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-04 — — EP disclosed
US-9718804-B2 GSK-3 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-01 — — US disclosed
US-9718804-B2 GSK-3 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-01 — — US disclosed
US-9718804-B2 GSK-3 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-01 — — US disclosed
US-20160272621-A1 GSK-3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-09-22 — — US disclosed
US-20160272621-A1 GSK-3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-09-22 — — US disclosed
EP-3066093-A1 GSK-3 INHIBITORS Bristol-Myers Squibb Company (US) 2016-09-14 — — EP disclosed
WO-2015069594-A1 GSK-3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-05-14 — — WO disclosed
WO-2015069594-A1 GSK-3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-05-14 — — WO 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-20160272621-A1 GSK-3 INHIBITORS GSK3B, GSK3A, GSKIP GSK3B 1/4885GSK3A 2/4885MAPT 90/4885

“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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