SCHEMBL618607

SCHEMBL618607

COc1cc(OC)c2cnc(-c3ccc(CN4CCN(C(C)C)CC4)cc3)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.41
SYK P43405 1/20 0.39
WHR1 P49842 1/20 0.39
PIK3CA P42336 3/20 0.39
PIK3CD O00329 2/20 0.39
PIK3R1 P27986 2/20 0.39
PIK3CB P42338 2/20 0.39
PIK3CG P48736 2/20 0.39
MAP3K11 Q16584 1/20 0.38
FGFR3 P22607 1/20 0.38
CDK6 Q00534 2/20 0.38
ACHE P22303 2/20 0.38
BACE1 P56817 2/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
HTR1A P08908 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
BRD4 O60885 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
SCHEMBL617698 0.89 CHKA (0.49) MAP3K11HTR1AHTR1DHTR1BMAP4K1
SCHEMBL619091 0.89 SRC (0.45) KMT2ASYKMAP3K11FGFR3ACHE
SCHEMBL15329363 0.86 SMN1; SMN2 (0.51) JAK2JAK1MAP4K1
SCHEMBL619713 0.83 ACHE (0.49) KMT2AACHEBACE1HTR1AMAPT
SCHEMBL17550808 0.78 NTSR1 (0.49) WHR1HTR1AMAPTNPSR1
SCHEMBL1304390 0.77 PDGFRB (0.51) KMT2ASYKMAPT
SCHEMBL15709579 0.74 HRH3 (0.41) WHR1FGFR3MAPT
SCHEMBL618561 0.74 MAP4K1 (0.49) KMT2AFGFR3MAP4K1
SCHEMBL378007 0.74 BRD4 (0.56) BRD4
SCHEMBL346309 0.74 PDGFRB (0.50) KMT2AJAK2JAK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10882828-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2021-01-05 US disclosed
US-20190119222-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2019-04-25 US disclosed
US-10131640-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2018-11-20 US disclosed
US-20160137613-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2016-05-19 US disclosed
US-9238640-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2016-01-19 US disclosed
US-20120040954-A1 NOVEL ANTI-INFLAMMATORY AGENTS HEPALINK (HONG KONG) LIMITED (HK) 2012-02-16 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 (5 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-20160137613-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 TSHR 4301/4885KMT2A 3826/4885SYK 747/4885
US-10882828-B2 Anti-inflammatory agents VCAM1, ICAM1, IL6 TSHR 4418/4885KMT2A 4037/4885SYK 736/4885
US-10131640-B2 Anti-inflammatory agents VCAM1, ICAM1, IL6 TSHR 4418/4885KMT2A 4037/4885SYK 736/4885
US-20190119222-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 TSHR 4301/4885KMT2A 3826/4885SYK 747/4885
US-20120040954-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 TSHR 4301/4885KMT2A 3826/4885SYK 747/4885

“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.