SCHEMBL23713995

SCHEMBL23713995

COC(=O)c1ccn(Cn2cccn2)n1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.58
KMT2A Q03164 4/20 0.53
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
MEN1 O00255 2/20 0.53
POLB P06746 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
THRB P10828 2/20 0.41
LMNA P02545 2/20 0.41
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38

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
SCHEMBL10133288 0.80 ALDH1A1 (0.63) KMT2ANPC1RAB9AMEN1POLB
SCHEMBL25786633 0.79 RAB9A (0.57) KMT2ANPC1RAB9AMEN1POLB
SCHEMBL864467 0.74 KMT2A (0.59) KMT2ANPC1RAB9AMEN1POLB
SCHEMBL26910772 0.74 NPC1 (0.56) KMT2ANPC1RAB9AMEN1POLB
SCHEMBL18367351 0.74 KMT2A (0.71) KMT2ANPC1RAB9AMEN1POLB
SCHEMBL20156306 0.73 RAB9A (0.55) KMT2ANPC1RAB9AMEN1POLB
SCHEMBL27756146 0.72 KMT2A (0.58) KMT2ANPC1RAB9AMEN1POLB
SCHEMBL10026496 0.72 KMT2A (0.64) KMT2ANPC1RAB9AMEN1POLB
SCHEMBL23705472 0.72 KMT2A (0.53) KMT2ANPC1RAB9AMEN1POLB
SCHEMBL15897960 0.72 KMT2A (0.53) KMT2ANPC1RAB9AMEN1POLB

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-20210238187-A1 AZIRIDINE CONTAINING EPOTHILONE ANALOGS, METHODS OF SYNTHESIS, METHODS OF TREATMENT, AND DRUG CONJUGATES WILLIAM MARSH RICE UNIVERSITY (US) 2021-08-05 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-20210238187-A1 AZIRIDINE CONTAINING EPOTHILONE ANALOGS, METHODS OF SYNTHESIS, METHODS OF TREATMENT, AND DRUG CONJUGATES EPOR, EZR, CD47 HIF1A 2854/4885KMT2A 2781/4885NPC1 1218/4885

“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.