SCHEMBL19022023

SCHEMBL19022023

CCNC(=O)C(N)Cc1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ HDAC8 Q9BY41 1/20 0.52
▸ RECQL P46063 1/20 0.50
▸ CYP1A2 P05177 2/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ FDPS P14324 1/20 0.47
▸ FPR1 P21462 1/20 0.46
▸ LMNA P02545 1/20 0.44
▸ DPP4 P27487 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ NAPRT Q6XQN6 1/20 0.44
▸ TBXAS1 P24557 1/20 0.44
▸ MAPT P10636 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ TP53 P04637 1/20 0.43

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
SCHEMBL8241367 0.86 ANPEP (0.50) PKMKMT2AHDAC8RECQLCYP1A2
SCHEMBL6248227 0.85 PKM (0.50) PKMKMT2AHDAC8RECQLCYP1A2
SCHEMBL7357770 0.85 PKM (0.50) PKMKMT2AHDAC8RECQLCYP1A2
SCHEMBL6248230 0.85 PKM (0.50) PKMKMT2AHDAC8RECQLCYP1A2
SCHEMBL29728132 0.84 KMT2A (0.51) PKMKMT2AHDAC8RECQLCYP1A2
Hydrochloric Acid SCHEMBL7897131 0.84 TBXAS1 (0.50) PKMKMT2AHDAC8RECQLCYP1A2
SCHEMBL19000037 0.83 PKM (0.48) PKMKMT2AHDAC8RECQLCYP1A2
SCHEMBL13073719 0.82 HDAC8 (0.64) KMT2AHDAC8CYP1A2CYP3A4CYP2C9
SCHEMBL20099522 0.82 CYP1A2 (0.49) PKMKMT2AHDAC8RECQLCYP1A2
SCHEMBL31746132 0.82 PKM (0.60) PKMKMT2ARECQLCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10399957-B2 TLR7/8 antagonists and uses thereof MERCK PATENT GMBH (DE) 2019-09-03 — — US disclosed
US-9957290-B2 Derivatives of amphotericin B SFUNGA THERAPEUTICS, INC. (US) 2018-05-01 — — US disclosed
WO-2017106607-A1 POLYCYCLIC TLR7/8 ANTAGONISTS AND USE THEREOF IN THE TREATMENT OF IMMUNE DISORDERS MERCK PATENT GMBH (DE) 2017-06-22 — — 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-10399957-B2 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 PKM 2740/4885KMT2A 1153/4885HDAC8 73/4885

“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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