SCHEMBL16702826

SCHEMBL16702826

O=[N+]([O-])c1cnccc1N1CCC(F)(F)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 6/20 0.50
▸ GSK3A P49840 4/20 0.50
▸ MAPT P10636 11/20 0.49
▸ HTT P42858 4/20 0.49
▸ POLB P06746 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ TNNI3 P19429 1/20 0.39
▸ TNNT2 P45379 1/20 0.39
▸ TNNC1 P63316 1/20 0.39
▸ MITF O75030 1/20 0.39
▸ ALDH1A1 P00352 6/20 0.39
▸ MAPK1 P28482 4/20 0.39
▸ LMNA P02545 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ L3MBTL1 Q9Y468 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL9425659 0.83 MAPT (0.67) MAPTHTTPOLBSMN1; SMN2TNNI3
SCHEMBL20189765 0.82 MAPT (0.49) GSK3BGSK3AMAPTHTTPOLB
SCHEMBL4555801 0.82 SMN1; SMN2 (0.53) MAPTHTTPOLBSMN1; SMN2TNNI3
SCHEMBL1710516 0.82 MAPT (0.65) MAPTHTTPOLBSMN1; SMN2TNNI3
SCHEMBL20189964 0.81 MAPT (0.50) MAPTHTTPOLBSMN1; SMN2MITF
SCHEMBL15771279 0.79 CYP3A4 (0.52) MAPTHTTPOLBSMN1; SMN2ALDH1A1
SCHEMBL30050306 0.79 MAPT (0.69) MAPTHTTPOLBSMN1; SMN2ALDH1A1
SCHEMBL19417846 0.79 MAPT (0.69) MAPTHTTPOLBSMN1; SMN2ALDH1A1
SCHEMBL4437996 0.79 MAPT (0.53) MAPTHTTPOLBSMN1; SMN2ALDH1A1
SCHEMBL5095834 0.79 HTT (0.56) MAPTHTTSMN1; SMN2MITFALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108373476-B Kinase inhibitor and preparation and application thereof 成都地奥制药集团有限公司 2021-06-01 — — CN disclosed
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
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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