SCHEMBL19575372

SCHEMBL19575372

Nc1nc(N)c2ncn(CCCCOC(=O)NCc3ccc(Cl)cc3)c2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 10/20 0.53
▸ HDAC6 Q9UBN7 8/20 0.53
▸ HDAC4 P56524 5/20 0.44
▸ CTSL P07711 3/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ CTSB P07858 1/20 0.42
▸ HDAC2 Q92769 5/20 0.40
▸ NSD2 O96028 1/20 0.40
▸ NSD3 Q9BZ95 1/20 0.40
▸ HDAC3 O15379 4/20 0.40
▸ HDAC7 Q8WUI4 4/20 0.40
▸ HDAC10 Q969S8 4/20 0.40
▸ HDAC11 Q96DB2 4/20 0.40
▸ HDAC8 Q9BY41 4/20 0.40
▸ HDAC9 Q9UKV0 4/20 0.40

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
SCHEMBL19575675 0.93 HDAC1 (0.46) HDAC1HDAC6HDAC4CTSLCTSB
SCHEMBL19575628 0.91 HDAC1 (0.45) HDAC1HDAC6HDAC4CTSLCTSB
SCHEMBL19575501 0.91 HDAC1 (0.45) HDAC1HDAC6HDAC4CTSLCYP1A2
SCHEMBL26224120 0.89 TMIGD3 (0.44) HDAC1HDAC6HDAC4CTSLCTSB
SCHEMBL20975239 0.88 HDAC1 (0.43) HDAC1HDAC6HDAC4CTSLCYP1A2
SCHEMBL19575387 0.88 NSD3 (0.55) NSD2NSD3ADORA2AADORA1
SCHEMBL19575400 0.85 HDAC1 (0.40) HDAC1HDAC6HDAC4CTSLCTSB
SCHEMBL26217326 0.85 HDAC6 (0.44) HDAC1HDAC6HDAC4CYP2C9CYP2C19
SCHEMBL26218608 0.84 CTSL (0.43) HDAC1HDAC6HDAC4CTSLCYP1A2
SCHEMBL19574919 0.84 HDAC1 (0.46) HDAC1HDAC6HDAC4HDAC2HDAC3

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 HDAC1 1343/4885HDAC6 2991/4885HDAC4 2684/4885
US-20190127379-A1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS ADK, TNNI3K, TNK2 HDAC1 1343/4885HDAC6 2991/4885HDAC4 2684/4885

“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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