SCHEMBL5523346

SCHEMBL5523346

C=C1Cc2cc(C(C)C)ccc2N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.40
GFER P55789 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KIF11 P52732 2/20 0.37
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
AHR P35869 1/20 0.33
TRPA1 O75762 1/20 0.32
PTGS1 P23219 1/20 0.32
CACNA1C Q13936 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
KARS1 Q15046 2/20 0.32
CYP3A4 P08684 2/20 0.32
TSHR P16473 2/20 0.32
PDK1 Q15118 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK3 Q15120 1/20 0.32

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
SCHEMBL9924217 0.86 HPGD (0.40) HPGDGFERHSD17B10KIF11CHRNB2
SCHEMBL26021811 0.86 AHR (0.33) KIF11AHR
SCHEMBL9924347 0.84 KIF11 (0.45) HPGDGFERHSD17B10KIF11CHRNB2
SCHEMBL2611053 0.79 AHR (0.56) HPGDGFERHSD17B10KIF11AHR
SCHEMBL25467804 0.77 HPGD (0.49) HPGDGFERHSD17B10LMNAMEN1
SCHEMBL14071637 0.76 HTR5A (0.46) HPGDHSD17B10AHRCYP3A4CYP2C19
SCHEMBL14804034 0.75 HPGD (0.37) HPGDGFERHSD17B10KIF11CHRNB2
SCHEMBL14827616 0.75 HPGD (0.43) HPGDGFERHSD17B10KIF11CHRNB2
SCHEMBL14124533 0.75 TLK2 (0.38) KMT2AALDH1A1
SCHEMBL19368163 0.75 GABRA1 (0.38) MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018115-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE LOXO ONCOLOGY, INC. 2024-01-18 US disclosed
US-20230212158-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL MYERS SQUIBB CO (US) 2023-07-06 US disclosed
US-9873702-B2 Heterocyclic compounds as biogenic amine transport modulators SOUTHERN RESEARCH INSTITUTE (US) 2018-01-23 US disclosed
US-9066954-B2 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2015-06-30 US disclosed
US-8841301-B2 Selective NR2B antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-23 US disclosed
US-8828990-B2 N-7 substituted purine and pyrazolopyrimine compounds, compositions and methods of use GENENTECH, INC. (US) 2014-09-09 US disclosed
US-8722670-B2 Selective NR2B antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-13 US disclosed
US-20130303529-A1 FUSED HETEROCYCLIC DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2013-11-14 US disclosed
US-8524900-B2 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2013-09-03 US disclosed
US-20130085138-A1 Selective NR2B Antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 US disclosed
US-20130079338-A1 Selective NR2B Antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-28 US disclosed
US-8288381-B2 N-9 substituted purine compounds, compositions and methods of use GENENTECH, INC. (US) 2012-10-16 US disclosed
US-20120165313-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2012-06-28 US disclosed
US-20120148531-A1 FUSED HETEROCYCLIC DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2012-06-14 US disclosed
US-8173654-B2 Triazolopyridazine compounds JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-08 US disclosed
US-20120107275-A1 FUSED HETEROCYCLIC DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2012-05-03 US disclosed
US-8030305-B2 Triazolopyridazines as kinase modulators JANSSEN PHARMACEUTICA N.V. (BE) 2011-10-04 US disclosed
US-20110118285-A1 HETEROCYCLES AS PROTEIN KINASE INHIBITORS AMGEN INC. 2011-05-19 US disclosed
US-20110086840-A1 N-7 SUBSTITUTED PURINE AND PYRAZOLOPYRIMINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2011-04-14 US disclosed
US-20110086841-A1 N-9 SUBSTITUTED PURINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2011-04-14 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 (11 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-20130079338-A1 Selective NR2B Antagonists GRIN2B, GRIN2A, GRIN3A HPGD 1406/4885GFER 2963/4885HSD17B10 3047/4885
US-20120148531-A1 FUSED HETEROCYCLIC DERIVATIVES AND METHODS OF USE HGF, HGFAC, MET HPGD 43/4885GFER 1976/4885HSD17B10 876/4885
US-20230212158-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 LGALS3, LGALS1, LGALS3BP HPGD 3117/4885GFER 4519/4885HSD17B10 3531/4885
US-20110086841-A1 N-9 SUBSTITUTED PURINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE ADORA3, ADORA2A, ADORA2B HPGD 632/4885GFER 2690/4885HSD17B10 3549/4885
US-20240018115-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE PIK3CA, PIK3R4, PIK3R5 HPGD 2904/4885GFER 3681/4885HSD17B10 450/4885
US-20130085138-A1 Selective NR2B Antagonists GRIN2B, GRIN2A, GRIN3A HPGD 1406/4885GFER 2963/4885HSD17B10 3047/4885
US-20130303529-A1 FUSED HETEROCYCLIC DERIVATIVES AND METHODS OF USE HGF, HGFAC, MET HPGD 43/4885GFER 1976/4885HSD17B10 876/4885
US-20110118285-A1 HETEROCYCLES AS PROTEIN KINASE INHIBITORS HGF, HGFAC, MET HPGD 478/4885GFER 3313/4885HSD17B10 2487/4885
US-20120165313-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE MTOR, TYMS, DTYMK HPGD 1866/4885GFER 4724/4885HSD17B10 2790/4885
US-20110086840-A1 N-7 SUBSTITUTED PURINE AND PYRAZOLOPYRIMINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE P2RX7, P2RY1, PNP HPGD 458/4885GFER 3345/4885HSD17B10 4279/4885
US-20120107275-A1 FUSED HETEROCYCLIC DERIVATIVES AND METHODS OF USE HGF, HGFAC, MET HPGD 43/4885GFER 1976/4885HSD17B10 876/4885

“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.