SCHEMBL22102207

SCHEMBL22102207

N[C@@H]1CCCN(c2ncccc2C(=O)O)C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.60
▸ PRKCQ Q04759 2/20 0.55
▸ RBP4 P02753 2/20 0.49
▸ TTR P02766 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ PIM1 P11309 1/20 0.46
▸ PIM3 Q86V86 1/20 0.46
▸ PIM2 Q9P1W9 1/20 0.46
▸ MYC P01106 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ DOT1L Q8TEK3 1/20 0.44
▸ OPRK1 P41145 5/20 0.43
▸ CAPN1 P07384 1/20 0.42
▸ CTSS P25774 1/20 0.42
▸ NAPRT Q6XQN6 1/20 0.42

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
SCHEMBL3309889 0.81 KMT2A (0.70) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL30477850 0.81 KMT2A (0.70) KMT2ARBP4MEN1CYP1A2CYP3A4
SCHEMBL15294735 0.81 KMT2A (0.70) KMT2ARBP4MEN1CYP1A2CYP3A4
SCHEMBL17746092 0.80 KMT2A (0.68) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL11399275 0.80 KMT2A (0.68) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL31057148 0.80 KMT2A (0.68) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL24297726 0.80 KMT2A (0.68) KMT2ARBP4TTRMEN1CYP1A2
SCHEMBL16034182 0.80 KMT2A (0.68) KMT2ARBP4TTRMEN1CYP1A2
SCHEMBL11279016 0.78 KMT2A (0.62) KMT2ARBP4TTRMEN1CYP1A2
SCHEMBL1264645 0.75 KMT2A (0.66) KMT2ARBP4TTRMEN1CYP1A2

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-20200190083-A1 LIBRARIES OF PYRIDINE-CONTAINING MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CYCLENIUM PHARMA INC. (CA) 2020-06-18 — — 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-20200190083-A1 LIBRARIES OF PYRIDINE-CONTAINING MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME VDR, TRPM8, TRPM7 KMT2A 4027/4885PRKCQ 1101/4885RBP4 1499/4885

“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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