SCHEMBL19006400

SCHEMBL19006400

COC(=O)CCc1ccc(C)cc1Br

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
MEN1 O00255 3/20 0.44
MAPT P10636 3/20 0.43
HSD17B10 Q99714 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
ABL1 P00519 1/20 0.42
RIN1 Q13671 1/20 0.42
GAA P10253 1/20 0.41
KDM4E B2RXH2 2/20 0.40
USP2 O75604 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
HPGD P15428 2/20 0.40
POLB P06746 1/20 0.39
EGFR P00533 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 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
SCHEMBL6498578 0.83 KMT2A (0.46) KMT2AMEN1MAPTHSD17B10ALDH1A1
SCHEMBL9129321 0.83 ABL1 (0.47) KMT2AMEN1MAPTHSD17B10ALDH1A1
SCHEMBL5383644 0.83 PKM (0.42) KMT2AMAPTHSD17B10ALDH1A1LMNA
SCHEMBL18982174 0.83 HPGD (0.39) KMT2AMEN1MAPTHSD17B10ALDH1A1
SCHEMBL18982801 0.83 TKT (0.39) KMT2AMEN1MAPTHSD17B10ALDH1A1
SCHEMBL15287024 0.83 MAPT (0.48) KMT2AMEN1MAPTGAAKDM4E
SCHEMBL13967755 0.81 NPSR1 (0.53) KMT2AMEN1MAPTALDH1A1GAA
SCHEMBL23674766 0.81 HSD17B10 (0.43) KMT2AMAPTHSD17B10ALDH1A1LMNA
SCHEMBL19006513 0.81 MAPT (0.50) KMT2AMAPTHSD17B10ALDH1A1LMNA
SCHEMBL18999229 0.80 ALDH1A1 (0.41) KMT2AMEN1MAPTHSD17B10ALDH1A1

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
EP-3394067-B1 4-AMINO-2-(1H-PYRAZOLO[3,4-B]PYRIDIN-3-YL)-6-OXO-6,7-DIHYDRO-5H-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AND THE RESPECTIVE (1H-INDAZOL-3-YL) DERIVATIVES AS CGMP MODULATORS FOR TREATING CARDIOVASCULAR DISEASES MERCK SHARP & DOHME (US) 2020-04-01 EP disclosed
WO-2017107052-A1 SOLUBLE GUANYLATE CYCLASE STIMULATORS MERCK SHARP & DOHME CORP. (US) 2017-06-29 WO disclosed
WO-2017112617-A1 4-AMINO-2-(1H-PYRAZOLO[3,4-B]PYRIDIN-3-YL)-6-OXO-6,7-DIHYDRO-5H-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AND THE RESPECTIVE (1H-INDAZOL-3-YL) DERIVATIVES AS CGMP MODULATORS FOR TREATING CARDIOVASCULAR DISEASES MERCK SHARP & DOHME CORP. (US) 2017-06-29 WO disclosed
US-20170174693-A1 SOLUBLE GUANYLATE CYCLASE STIMULATORS MERCK SHARP & DOHME LLC 2017-06-22 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 (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-20170174693-A1 SOLUBLE GUANYLATE CYCLASE STIMULATORS GUCY1A1, GUCY1A2, PDE2A KMT2A 4661/4885MEN1 1128/4885MAPT 4757/4885

“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.