SCHEMBL25272291

SCHEMBL25272291

COc1ccc(CNc2nccc3c2c(Br)nn3C2CCOCC2)c(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 15/20 0.41
▸ CYP3A4 P08684 15/20 0.41
▸ CYP2C19 P33261 15/20 0.41
▸ CYP2D6 P10635 13/20 0.40
▸ TSHR P16473 13/20 0.40
▸ USP2 O75604 7/20 0.40
▸ ALDH1A1 P00352 7/20 0.40
▸ CLK4 Q9HAZ1 6/20 0.40
▸ PDE9A O76083 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ CYP2C9 P11712 8/20 0.40
▸ MAPK1 P28482 6/20 0.40
▸ HSD17B10 Q99714 6/20 0.40
▸ ALOX15 P16050 4/20 0.40
▸ TP53 P04637 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ KMT2A Q03164 6/20 0.39
▸ MEN1 O00255 5/20 0.39

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
SCHEMBL20645215 0.91 PDE9A (0.48) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL22010140 0.90 PDE9A (0.42) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL25230775 0.89 ALDH1A1 (0.42) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL25272167 0.86 BTK (0.46) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL30367690 0.84 KMT2A (0.41) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL24651143 0.83 CYP1A2 (0.46) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL24651144 0.83 NPC1 (0.43) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL21903524 0.82 EPHX2 (0.44) ALDH1A1PDE9AKMT2AMEN1LMNA
SCHEMBL21903828 0.81 KMT2A (0.42) TSHRALDH1A1PDE9AMAPK1KMT2A
SCHEMBL21903640 0.81 KMT2A (0.42) TSHRALDH1A1PDE9AMAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192691-A1 HETEROCYCLIC COMPOUNDS AS BTK INHIBITORS BEIJING INNOCARE PHARMA TECH CO LTD (CN) 2023-06-22 — — US disclosed
US-20230192691-A1 HETEROCYCLIC COMPOUNDS AS BTK INHIBITORS BEIJING INNOCARE PHARMA TECH CO LTD (CN) 2023-06-22 — — US disclosed
US-20230192691-A1 HETEROCYCLIC COMPOUNDS AS BTK INHIBITORS BEIJING INNOCARE PHARMA TECH CO LTD (CN) 2023-06-22 — — US disclosed
CN-114075190-A Heterocyclic BTK inhibitors 北京诺诚健华医药科技有限公司 2022-02-22 — — CN 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-20230192691-A1 HETEROCYCLIC COMPOUNDS AS BTK INHIBITORS BTK, SYK, LYN CYP1A2 2657/4885CYP3A4 2261/4885CYP2C19 599/4885

“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.

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