SCHEMBL3128296

SCHEMBL3128296

CC[CH]c1ccc2cccccc1-2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 2/20 0.41
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
PTGS2 P35354 1/20 0.39
DPP4 P27487 1/20 0.39
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
ALDH1A1 P00352 4/20 0.38
HSD17B10 Q99714 2/20 0.38
HPGD P15428 2/20 0.38
BCL2L1 Q07817 1/20 0.38
CYP2A6 P11509 1/20 0.38
MAPK1 P28482 1/20 0.38
GRIN2D O15399 2/20 0.38
GRIN3B O60391 2/20 0.38
GRIN1 Q05586 2/20 0.38
GRIN2A Q12879 2/20 0.38
GRIN2B Q13224 2/20 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
SCHEMBL1864858 0.93 GRIN2D (0.43) CASP3SENP8SENP7SENP6PTGS2
SCHEMBL5012502 0.85 PTGS2 (0.38) CASP3SENP8SENP7SENP6PTGS2
SCHEMBL4720996 0.79 GRIN2D (0.40) PTGS2DPP4PDCD1CD274ALDH1A1
SCHEMBL3119922 0.77 FLT3 (0.43) FLT3CASP3SENP8SENP7SENP6
SCHEMBL6041126 0.76 SOAT1 (0.39) FLT3DPP4PDCD1CD274MAPK1
SCHEMBL1471407 0.75 BACE1 (0.43) DPP4CYP2A6GRIN2DGRIN3BGRIN1
SCHEMBL1024642 0.75 BACE1 (0.43) DPP4CYP2A6GRIN2DGRIN3BGRIN1
SCHEMBL9067016 0.74 ADRB2 (0.39) DPP4PDCD1CD274ALDH1A1HSD17B10
SCHEMBL224642 0.73 XDH (0.51) FLT3PTGS2ALDH1A1HSD17B10HPGD
SCHEMBL32662830 0.73 FLT3 (0.47) FLT3CASP3SENP8SENP7SENP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210393634-A1 PROPHYLACTIC AND/OR THERAPEUTIC AGENT FOR INFLAMMATORY DISEASES WHICH CONTAINS PYRROLOPYRIMIDINE COMPOUND AS ACTIVE INGREDIENT KEIO UNIVERSITY (JP) 2021-12-23 US disclosed
EP-3821893-A1 PROPHYLACTIC AND/OR THERAPEUTIC AGENT FOR INFLAMMATORY DISEASES WHICH CONTAINS PYRROLOPYRIMIDINE COMPOUND AS ACTIVE INGREDIENT Keio University (JP) 2021-05-19 EP disclosed
WO-2019216409-A1 PROPHYLACTIC AND/OR THERAPEUTIC AGENT FOR INFLAMMATORY DISEASES WHICH CONTAINS PYRROLOPYRIMIDINE COMPOUND AS ACTIVE INGREDIENT 学校法人慶應義塾 (JP) 2019-11-14 WO disclosed
EP-2143714-B1 TETRAHYDROISOQUINOLINE COMPOUND KOWA CO (JP) 2013-06-05 EP disclosed
US-8273766-B2 Tetrahydroisoquinoline compound KOWA COMPANY, LTD. (JP) 2012-09-25 US disclosed
US-20100120844-A1 TETRAHYDROISOQUINOLINE COMPOUND KOWA COMPANY, LTD. (JP) 2010-05-13 US disclosed
EP-2143714-A1 TETRAHYDROISOQUINOLINE COMPOUND Kowa Company, Ltd. (JP) 2010-01-13 EP 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 (2 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-20210393634-A1 PROPHYLACTIC AND/OR THERAPEUTIC AGENT FOR INFLAMMATORY DISEASES WHICH CONTAINS PYRROLOPYRIMIDINE COMPOUND AS ACTIVE INGREDIENT TPMT, IL1B, TSLP FLT3 3053/4885CASP3 1636/4885SENP8 1449/4885
US-20100120844-A1 TETRAHYDROISOQUINOLINE COMPOUND CCR3, CCR5, CCR1 FLT3 2369/4885CASP3 611/4885SENP8 4418/4885

“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.