SCHEMBL21995636

SCHEMBL21995636

CC(=O)OC1CCC(n2cc(Br)cn2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM5A P29375 1/20 0.39
▸ CYP1A2 P05177 2/20 0.37
▸ CYP2D6 P10635 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CHRM2 P08172 6/20 0.35
▸ CHRM4 P08173 6/20 0.35
▸ CHRM5 P08912 6/20 0.35
▸ CHRM1 P11229 6/20 0.35
▸ CHRM3 P20309 6/20 0.35
▸ HTR3E A5X5Y0 2/20 0.35
▸ HTR3B O95264 2/20 0.35
▸ HTR3A P46098 2/20 0.35
▸ HTR3D Q70Z44 2/20 0.35
▸ HTR3C Q8WXA8 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NR1I2 O75469 1/20 0.35
▸ F2 P00734 1/20 0.34
▸ PLAU P00749 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
SCHEMBL21995634 1.00 KDM5A (0.39) KDM5ACYP1A2CYP2D6TSHRCHRM2
SCHEMBL1404089 0.74 — —
SCHEMBL25237473 0.73 KDM5A (0.37) KDM5AF2PLAUKLKB1ELANE
SCHEMBL31131923 0.73 KDM5A (0.34) KDM5AF2PLAUKLKB1ELANE
SCHEMBL25237491 0.73 CYP2D6 (0.44) KDM5ACYP1A2CYP2D6TSHRCYP2C19
SCHEMBL22228077 0.72 SMN1; SMN2 (0.41) KDM5AMEN1KMT2AF2PLAU
SCHEMBL22228075 0.72 SMN1; SMN2 (0.41) KDM5AMEN1KMT2AF2PLAU
SCHEMBL16875984 0.72 HSD17B10 (0.43) TSHRMEN1KMT2A
SCHEMBL1582361 0.71 KDM5A (0.52) KDM5A
SCHEMBL25245759 0.71 KDM5A (0.36) KDM5A

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-12263171-B2 7-, 8-, and 10-substituted amino triazolo quinazoline derivatives as adenosine receptor antagonists, pharmaceutical compositions and their use MERCK SHARP & DOHME LLC (US) 2025-04-01 — — US disclosed
US-20230054411-A1 7-, 8-, and 10-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2023-02-23 — — US disclosed
US-20230054411-A1 7-, 8-, and 10-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2023-02-23 — — US disclosed
EP-3887377-A1 7-, 8-, AND 10-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE Merck Sharp & Dohme Corp. (US) 2021-10-06 — — EP disclosed
WO-2020112706-A1 7-, 8-, and 10-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2020-06-04 — — 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 (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-20230054411-A1 7-, 8-, and 10-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE ADORA2A, ADORA2B, ADORA3 KDM5A 2064/4885CYP1A2 289/4885CYP2D6 804/4885
US-12263171-B2 7-, 8-, and 10-substituted amino triazolo quinazoline derivatives as adenosine receptor antagonists, pharmaceutical compositions and their use ADORA2A, ADORA2B, ADORA3 KDM5A 2064/4885CYP1A2 289/4885CYP2D6 804/4885

“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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