SCHEMBL24534817

SCHEMBL24534817

CC(C)NC(=O)c1cc2n(n1)CCCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 2/20 0.41
▸ HDAC6 Q9UBN7 3/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ ESR2 Q92731 1/20 0.38
▸ MAPT P10636 3/20 0.37
▸ MMP1 P03956 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ MMP13 P45452 1/20 0.36
▸ HTT P42858 2/20 0.36
▸ ATM Q13315 1/20 0.36
▸ GCK P35557 1/20 0.36
▸ FABP4 P15090 1/20 0.36
▸ FABP5 Q01469 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ GRAMD1A Q96CP6 1/20 0.36
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35

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
SCHEMBL30793525 0.98 NR1H2 (0.41) NR1H2HDAC6MEN1KMT2AESR2
SCHEMBL30699433 0.94 HDAC6 (0.47) NR1H2HDAC6MEN1KMT2AESR2
SCHEMBL24535888 0.90 NR1H2 (0.42) NR1H2HDAC6MEN1KMT2AESR2
SCHEMBL25336926 0.86 NR1H2 (0.51) NR1H2HDAC6MEN1KMT2AESR2
SCHEMBL24535305 0.86 MEN1 (0.46) NR1H2HDAC6MEN1KMT2AESR2
SCHEMBL16102411 0.86 NR1H2 (0.42) NR1H2HDAC6MEN1KMT2AESR2
SCHEMBL29680742 0.86 HDAC6 (0.39) NR1H2HDAC6MEN1KMT2AESR2
SCHEMBL25335852 0.86 USP30 (0.43) NR1H2HDAC6MEN1KMT2AALDH1A1
SCHEMBL30793276 0.85 USP30 (0.45) HDAC6MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL24536649 0.85 NR1H2 (0.42) NR1H2HDAC6MEN1KMT2AESR2

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
WO-2023244713-A1 QUINAZOLINE DERIVATIVES, COMPOSITIONS AND METHODS THEREOF ENSEM THERAPEUTICS, INC. (US) 2023-12-21 — — WO disclosed
EP-4262803-A1 TETRAHYDROPYRIDOPYRIMIDINE PAN-KRAS INHIBITORS Mirati Therapeutics, Inc. (US) 2023-10-25 — — EP disclosed
US-20220194961-A1 TETRAHYDROPYRIDOPYRIMIDINE PAN-KRAS INHIBITORS Mirati Therapeutics, Inc. 2022-06-23 — — US disclosed
WO-2022133038-A1 TETRAHYDROPYRIDOPYRIMIDINE PAN-KRAS INHIBITORS Mirati Therapeutics, Inc. (US) 2022-06-23 — — 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-20220194961-A1 TETRAHYDROPYRIDOPYRIMIDINE PAN-KRAS INHIBITORS KRAS, NRAS, HRAS NR1H2 2340/4885HDAC6 3350/4885MEN1 948/4885

“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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