SCHEMBL19575381

SCHEMBL19575381

Cc1cccc(CNC(=O)OCCCCn2cnc3c(N)nc(Cl)nc32)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CHKA P35790 1/20 0.46
▸ YTHDC1 Q96MU7 4/20 0.43
▸ CTSL P07711 1/20 0.42
▸ HDAC1 Q13547 10/20 0.42
▸ HDAC3 O15379 9/20 0.42
▸ HDAC4 P56524 9/20 0.42
▸ HDAC7 Q8WUI4 9/20 0.42
▸ HDAC2 Q92769 9/20 0.42
▸ HDAC10 Q969S8 9/20 0.42
▸ HDAC11 Q96DB2 9/20 0.42
▸ HDAC8 Q9BY41 9/20 0.42
▸ HDAC6 Q9UBN7 9/20 0.42
▸ HDAC9 Q9UKV0 9/20 0.42
▸ HDAC5 Q9UQL6 9/20 0.42
▸ ADORA2A P29274 3/20 0.40
▸ ADORA1 P30542 3/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ PDE8A O60658 1/20 0.39
▸ TMIGD3 P0DMS9 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
SCHEMBL19575672 0.91 CHKA (0.46) CHKAYTHDC1CTSLHDAC1HDAC3
SCHEMBL19575468 0.90 CHKA (0.45) CHKAYTHDC1HDAC1HDAC3HDAC4
SCHEMBL19553670 0.90 YTHDC1 (0.47) CHKAYTHDC1HDAC1HDAC3HDAC4
SCHEMBL26224308 0.90 CHKA (0.45) CHKAYTHDC1HDAC1HDAC3HDAC4
SCHEMBL19575638 0.90 PPARG (0.46) CHKAYTHDC1HDAC1HDAC3HDAC4
SCHEMBL19553866 0.90 CHKA (0.44) CHKAYTHDC1HDAC1HDAC3HDAC4
SCHEMBL30661708 0.90 CHKA (0.44) CHKAYTHDC1HDAC1HDAC3HDAC4
SCHEMBL20973900 0.89 CHKA (0.45) CHKAYTHDC1CTSLHDAC1HDAC3
SCHEMBL19553716 0.89 CHKA (0.45) CHKAYTHDC1HDAC1HDAC3HDAC4
SCHEMBL20974433 0.89 PADI3 (0.47) CHKAYTHDC1CTSLHDAC1HDAC3

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-3452477-B1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS B C I PHARMA (BE) 2023-09-13 — — EP disclosed
US-11236093-B2 Adenine derivatives as protein kinase inhibitors B.C.I. PHARMA (BE) 2022-02-01 — — US disclosed
US-20190127379-A1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS B.C.I. PHARMA (BE) 2019-05-02 — — US disclosed
WO-2017191297-A1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS BCI PHARMA (FR) 2017-11-09 — — 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-11236093-B2 Adenine derivatives as protein kinase inhibitors ADK, TNNI3K, TNK2 CHKA 395/4885YTHDC1 2334/4885CTSL 4183/4885
US-20190127379-A1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS ADK, TNNI3K, TNK2 CHKA 395/4885YTHDC1 2334/4885CTSL 4183/4885

“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.

Send feedback