SCHEMBL4696975

SCHEMBL4696975

CC(C)(C)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.67
POLB P06746 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.58
RAB9A P51151 1/20 0.56
CHRNB2 P17787 3/20 0.50
CHRNA4 P43681 3/20 0.50
CHRNB4 P30926 2/20 0.50
CHRNA3 P32297 2/20 0.50
SIRT6 Q8N6T7 1/20 0.41
HSD11B1 P28845 1/20 0.40
TGM2 P21980 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 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
SCHEMBL521907 0.84 MAPT (0.72) MAPTPOLBSMN1; SMN2RAB9ACHRNB2
SCHEMBL1645884 0.82 MAPT (0.62) MAPTPOLBSMN1; SMN2RAB9ACHRNB2
SCHEMBL29435521 0.82 MAPT (0.97) MAPTPOLBSMN1; SMN2RAB9ACHRNB2
SCHEMBL3539759 0.82 MAPT (0.90) MAPTPOLBSMN1; SMN2RAB9ACHRNB2
SCHEMBL15141576 0.82 MAPT (0.97) MAPTPOLBSMN1; SMN2RAB9ACHRNB2
SCHEMBL22616346 0.81 MAPT (0.60) MAPTPOLBSMN1; SMN2RAB9ACHRNB2
SCHEMBL1648849 0.81 MAPT (0.60) MAPTPOLBSMN1; SMN2RAB9ACHRNB2
SCHEMBL27701775 0.81 MAPT (0.59) MAPTPOLBSMN1; SMN2RAB9ACHRNB2
SCHEMBL2722856 0.80 MAPT (1.00) MAPTPOLBSMN1; SMN2RAB9ACHRNB2
SCHEMBL29437410 0.80 MAPT (1.00) MAPTPOLBSMN1; SMN2RAB9ACHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023086959-A1 FUSED TRIAZINONE DERIVATIVES AND METHODS OF USING THE SAME RGENTA THERAPEUTICS, INC. (US) 2023-05-19 WO disclosed
US-20170247373-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-08-31 US disclosed
US-20170247373-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-08-31 US disclosed
US-9630970-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2017-04-25 US disclosed
US-9630970-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2017-04-25 US disclosed
US-20160297826-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-10-13 US disclosed
US-20160297826-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-10-13 US disclosed
US-9340540-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2016-05-17 US disclosed
US-9340540-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2016-05-17 US disclosed
US-20150266875-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-09-24 US disclosed
US-20150266875-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-09-24 US disclosed
EP-2773638-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY F.HOFFMANN-LA ROCHE AG (CH) 2014-09-10 EP disclosed
WO-2013067274-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY GENENTECH, INC. (US) 2013-05-10 WO disclosed
EP-1963273-A2 SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2008-09-03 EP disclosed
WO-2007075783-A2 SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITOR WYETH (US) 2007-07-05 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 (3 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-20150266875-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 MAPT 1236/4885POLB 1657/4885SMN1; SMN2 1145/4885
US-20160297826-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 MAPT 1236/4885POLB 1657/4885SMN1; SMN2 1145/4885
US-20170247373-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 MAPT 1236/4885POLB 1657/4885SMN1; SMN2 1145/4885

“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.