SCHEMBL24251822

SCHEMBL24251822

CC1(C)CNc2cc(-c3ccccc3F)cnc21

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.38
TRPA1 O75762 1/20 0.36
TGFBR1 P36897 1/20 0.36
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
GRIN2B Q13224 6/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
MAP4K4 O95819 1/20 0.35
PIM1 P11309 1/20 0.34
PDE4B Q07343 1/20 0.34
NISCH Q9Y2I1 1/20 0.34
NPC1 O15118 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL30587977 1.00 PGR (0.38) PGRTRPA1TGFBR1GSK3AGSK3B
SCHEMBL24496629 0.86 JAK2 (0.37) PGRALOX5APFEN1
SCHEMBL24251706 0.81 GSK3B (0.41) GSK3AGSK3BMAP4K4PIM1NPC1
SCHEMBL30082498 0.75 XIAP (0.38) PDE4BNPC1L3MBTL1
SCHEMBL30728147 0.75 KEAP1 (0.33)
SCHEMBL15108047 0.75 KEAP1 (0.33)
SCHEMBL13733513 0.70 XIAP (0.35)
SCHEMBL29713524 0.70 HTR2C (0.38) TRPA1
SCHEMBL18417744 0.70 CCR1 (0.31)
SCHEMBL13732162 0.69 TAAR1 (0.38) NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240109885-A1 2,3-DIHYDRO-1H-PYRROLO[3,2-B]PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF ABBISKO THERAPEUTICS CO., LTD. (CN) 2024-04-04 US disclosed
EP-4257584-A1 2,3-DIHYDRO-1H-PYRROLO[3,2-B]PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Abbisko Therapeutics Co., Ltd. (CN) 2023-10-11 EP disclosed
EP-4257584-A1 2,3-DIHYDRO-1H-PYRROLO[3,2-B]PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Abbisko Therapeutics Co., Ltd. (CN) 2023-10-11 EP disclosed
WO-2022116995-A1 2,3-DIHYDRO-1H-PYRROLO[3,2-B]PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 上海和誉生物医药科技有限公司 2022-06-09 WO disclosed
WO-2022033455-A1 TRIAZINE DERIVATIVE HAVING EGFR INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR AND USE THEREOF 上海和誉生物医药科技有限公司 2022-02-17 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 (1 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-20240109885-A1 2,3-DIHYDRO-1H-PYRROLO[3,2-B]PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF WEE1, WEE2, EGFR PGR 301/4885TRPA1 4447/4885TGFBR1 1997/4885

“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.