SCHEMBL20680240

SCHEMBL20680240

COc1ccc(CNc2cc(C)nc3c(C#N)cccc23)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CD38 P28907 6/20 0.51
▸ CYP1A2 P05177 9/20 0.49
▸ CYP3A4 P08684 9/20 0.49
▸ TSHR P16473 8/20 0.49
▸ CYP2D6 P10635 7/20 0.49
▸ CYP2C19 P33261 7/20 0.49
▸ USP2 O75604 5/20 0.49
▸ ALDH1A1 P00352 5/20 0.49
▸ CYP2C9 P11712 5/20 0.49
▸ HSD17B10 Q99714 4/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ CLK4 Q9HAZ1 6/20 0.49
▸ LMNA P02545 5/20 0.49
▸ HIF1A Q16665 1/20 0.49
▸ TP53 P04637 1/20 0.47
▸ GLA P06280 1/20 0.47
▸ ALOX15 P16050 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ HPGD P15428 1/20 0.45

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
SCHEMBL20680266 0.81 CD38 (0.57) CD38CYP3A4
SCHEMBL20680326 0.80 CD38 (0.53) CD38CYP3A4KMT2AMEN1
SCHEMBL20680506 0.79 CD38 (0.67) CD38CYP3A4ALDH1A1KMT2AMEN1
SCHEMBL20680405 0.79 CD38 (0.67) CD38CYP3A4ALDH1A1TP53MAPK1
SCHEMBL28595894 0.79 CYP1A2 (0.55) CYP1A2CYP3A4TSHRCYP2D6CYP2C19
SCHEMBL20680214 0.78 CD38 (0.56) CD38CYP3A4TP53
SCHEMBL20680424 0.78 CD38 (0.69) CD38CYP3A4HPGD
SCHEMBL20680390 0.78 CD38 (0.68) CD38CYP3A4MAPT
SCHEMBL20680320 0.78 CD38 (0.53) CD38CYP3A4KMT2AMEN1
SCHEMBL20680286 0.78 CD38 (0.68) CD38CYP3A4

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-20210087290-A1 COMPOUNDS WHICH SPECIFICALLY BIND TO CD38 FOR USE IN THE TREATMENT OF NEURODEGENERATIVE AND INFLAMMATORY DISEASES ENCEFA (FR) 2021-03-25 — — US disclosed
EP-3658586-A1 COMPOUNDS WHICH SPECIFICALLY BIND TO CD38 FOR USE IN THE TREATMENT OF NEURODEGENERATIVE AND INFLAMMATORY DISEASES ENCEFA (FR) 2020-06-03 — — EP disclosed
CN-111108127-A Compounds that specifically bind CD38 for use in the treatment of neurodegenerative and inflammatory diseases ENCEFA公司 2020-05-05 — — CN disclosed
WO-2019020643-A1 COMPOUNDS WHICH SPECIFICALLY BIND TO CD38 FOR USE IN THE TREATMENT OF NEURODEGENERATIVE AND INFLAMMATORY DISEASES ENCEFA (FR) 2019-01-31 — — 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-20210087290-A1 COMPOUNDS WHICH SPECIFICALLY BIND TO CD38 FOR USE IN THE TREATMENT OF NEURODEGENERATIVE AND INFLAMMATORY DISEASES CD38, TRPC1, TRPC4 CD38 1/4885CYP1A2 4480/4885CYP3A4 4152/4885

“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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