SCHEMBL18937752

SCHEMBL18937752

CCCCCC(C)(CCCC)C(=O)N1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.48
HTT P42858 4/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 5/20 0.46
POLB P06746 3/20 0.46
LMNA P02545 2/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.41
USP2 O75604 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CTSK P43235 1/20 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
SCHEMBL21555502 0.98 HTT (0.49) PKMHTTMEN1KMT2ASMN1; SMN2
SCHEMBL25007284 0.97 HTT (0.50) PKMHTTMEN1KMT2ASMN1; SMN2
SCHEMBL19295481 0.97 HTT (0.50) PKMHTTMEN1KMT2ASMN1; SMN2
SCHEMBL20366360 0.94 HTT (0.48) PKMHTTMEN1KMT2ASMN1; SMN2
SCHEMBL24858435 0.94 SMN1; SMN2 (0.46) PKMHTTMEN1KMT2ASMN1; SMN2
SCHEMBL18610658 0.91 HTT (0.48) PKMHTTMEN1KMT2ASMN1; SMN2
SCHEMBL18409015 0.90 SMN1; SMN2 (0.46) PKMHTTMEN1KMT2ASMN1; SMN2
SCHEMBL21713229 0.85 PKM (0.49) PKMHTTMEN1KMT2ASMN1; SMN2
SCHEMBL18411010 0.83 SMN1; SMN2 (0.49) PKMHTTMEN1KMT2ASMN1; SMN2
SCHEMBL24176500 0.83 L3MBTL1 (0.49) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9957268-B2 1H-pyrrolo[2,3,c]pyridin-7(6H)-ones and pyrazolo[3,4-c]pyridin-7(6H)-ones as inhibitors of BET proteins INCYTE CORPORATION (US) 2018-05-01 US disclosed
US-20170158689-A1 1H-PYRROLO[2,3-c]PYRIDIN-7(6H)-ONES AND PYRAZOLO[3,4-c]PYRIDIN-7(6H)-ONES AS INHIBITORS OF BET PROTEINS INCYTE CORPORATION (US) 2017-06-08 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-20170158689-A1 1H-PYRROLO[2,3-c]PYRIDIN-7(6H)-ONES AND PYRAZOLO[3,4-c]PYRIDIN-7(6H)-ONES AS INHIBITORS OF BET PROTEINS BRD3, BRD1, BRD2 PKM 3325/4885HTT 1512/4885MEN1 2471/4885

“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.