SCHEMBL276991

SCHEMBL276991

CC(C)c1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.49
ACACB O00763 2/20 0.47
TLR9 Q9NR96 1/20 0.46
TLR8 Q9NR97 1/20 0.46
TLR7 Q9NYK1 1/20 0.46
MAPK1 P28482 1/20 0.41
AOC3 Q16853 3/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
MAPT P10636 2/20 0.40
RAB9A P51151 2/20 0.40
GAA P10253 1/20 0.40
LRRK2 Q5S007 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
ADRA1A P35348 1/20 0.39
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TSHR P16473 1/20 0.38
ITGB2 P05107 1/20 0.37
ICAM1 P05362 1/20 0.37

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
SCHEMBL17108649 1.00 KMT2A (0.49) KMT2AACACBTLR9TLR8TLR7
SCHEMBL14376104 0.85 KMT2A (0.44) KMT2AACACBTLR9TLR8TLR7
SCHEMBL11402871 0.85 ACACB (0.50) ACACBMAPT
SCHEMBL21162008 0.84 ACACB (0.47) ACACBTLR9TLR8TLR7
SCHEMBL14349214 0.82 NR3C2 (0.44) ACACBLRRK2
SCHEMBL15247184 0.81 ACACB (0.47) ACACBTLR9TLR8TLR7
SCHEMBL13187881 0.81 ACACB (0.49) ACACB
SCHEMBL29929322 0.81 ACACB (0.52) ACACB
SCHEMBL13466381 0.81 ACACB (0.52) ACACB
SCHEMBL10121068 0.81 ACACB (0.49) ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10329270-B2 Heteroaryl compounds as BTK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-06-25 US disclosed
US-9624229-B2 Pyrimidine-2-amine compounds and their use as inhibitors of JAK kinases RIGEL PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
US-20160264548-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-09-15 US disclosed
US-8133513-B2 Solid preparation having improved solubility SHIONOGI & CO., LTD. (JP) 2012-03-13 US disclosed
US-20100240711-A1 SOLID PREPARATION COMPRISING NPYY5 RECEPTOR ANTAGONIST SHIONOGI & CO., LTD. (JP) 2010-09-23 US disclosed
US-20090105312-A1 SOLID PREPARATION HAVING IMPROVED SOLUBILITY SHIONOGI & CO., LTD. (JP) 2009-04-23 US disclosed
US-7312209-B2 Acridone inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 US disclosed
US-7312209-B2 Acridone inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 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 (4 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-20160264548-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LCK KMT2A 1229/4885ACACB 2827/4885TLR9 1064/4885
US-20090105312-A1 SOLID PREPARATION HAVING IMPROVED SOLUBILITY NUDT1, PDE7A, SLC7A1 KMT2A 2635/4885ACACB 2734/4885TLR9 2931/4885
US-20100240711-A1 SOLID PREPARATION COMPRISING NPYY5 RECEPTOR ANTAGONIST NPY5R, SSTR5, NPY1R KMT2A 2360/4885ACACB 3991/4885TLR9 1928/4885
US-10329270-B2 Heteroaryl compounds as BTK inhibitors and uses thereof BTK, SYK, LCK KMT2A 1229/4885ACACB 2827/4885TLR9 1064/4885

“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.