SCHEMBL29618002

SCHEMBL29618002

CCOC(=O)[C@H](C)Nc1ccc2nc[nH]c2c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 5/20 0.52
QPCT Q16769 3/20 0.49
EPHX1 P07099 1/20 0.49
KMT2A Q03164 3/20 0.47
NAMPT P43490 2/20 0.47
ATM Q13315 2/20 0.47
CYP3A4 P08684 1/20 0.46
P2RY6 Q15077 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTT P42858 1/20 0.46
POLB P06746 3/20 0.46
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 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
SCHEMBL11557199 0.83 NAMPT (0.52) P2RY14QPCTEPHX1KMT2ANAMPT
SCHEMBL17036636 0.76 ADRA2A (0.54) QPCTEPHX1NAMPTHTT
SCHEMBL11844716 0.76 P2RY14 (0.54) P2RY14QPCTEPHX1KMT2ANAMPT
SCHEMBL29618001 0.75 MEN1 (0.55) KMT2ACYP3A4RAB9ASMN1; SMN2HTT
SCHEMBL4422426 0.75 IRAK4 (0.49) KMT2ANPC1RAB9ASMN1; SMN2HTT
SCHEMBL4422428 0.75 IRAK4 (0.49) KMT2ANPC1RAB9ASMN1; SMN2HTT
SCHEMBL2545182 0.75 EPHX1 (0.48) P2RY14QPCTEPHX1NAMPTHTT
SCHEMBL4811515 0.75 P2RY14 (0.49) P2RY14QPCTEPHX1KMT2ANAMPT
SCHEMBL11830329 0.75 P2RY14 (0.55) P2RY14QPCTEPHX1KMT2ANAMPT
SCHEMBL4811518 0.75 P2RY14 (0.49) P2RY14QPCTEPHX1KMT2ANAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220144775-A1 HYDRAZIDE COMPOUND AND KINASE INHIBITOR NISSAN CHEMICAL CORPORATION (JP) 2022-05-12 US 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-20220144775-A1 HYDRAZIDE COMPOUND AND KINASE INHIBITOR LATS1, LATS2, STK4 P2RY14 4375/4885QPCT 1583/4885EPHX1 2427/4885

“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.