SCHEMBL739728

SCHEMBL739728

Cc1nccn1CCOC(C)C

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
ALDH1A1 P00352 3/20 0.53
POLB P06746 1/20 0.53
TSHR P16473 1/20 0.45
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
P2RX7 Q99572 1/20 0.39
FDPS P14324 1/20 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
SCHEMBL25067227 0.90 ALDH1A1 (0.59) KMT2AALDH1A1POLBTSHRCA12
SCHEMBL8678546 0.81 KMT2A (0.60) KMT2AALDH1A1POLBTSHRCA12
SCHEMBL24129464 0.81 SMN1; SMN2 (0.54) TSHRSMN1; SMN2
SCHEMBL754722 0.79 KMT2A (0.58) KMT2AALDH1A1POLBTSHRCA12
SCHEMBL24129177 0.78 CHRNB2 (0.38) KMT2AALDH1A1POLBTSHRSMN1; SMN2
SCHEMBL24127750 0.78 GFER (0.37) KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL4779659 0.78 ALDH1A1 (0.72) KMT2AALDH1A1POLBTSHRCA12
SCHEMBL5438077 0.76 ALDH1A1 (0.59) KMT2AALDH1A1POLBTSHRCA12
SCHEMBL6567812 0.76 KMT2A (0.58) KMT2AALDH1A1POLBTSHRCA12
SCHEMBL19794294 0.75 ALDH1A1 (0.62) KMT2AALDH1A1POLBTSHRCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230167131-A1 HETEROCYCLIC PAD4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-06-01 US disclosed
WO-2021163254-A1 HETEROCYCLIC PAD4 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-08-19 WO disclosed
US-8138181-B2 Imidazo[1,2-a]pyridine compounds as receptor tyrosine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2012-03-20 US disclosed
US-20100144751-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS AS RECEPTOR TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-06-10 US disclosed
US-20100144751-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS AS RECEPTOR TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-06-10 US disclosed
US-20100029633-A1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS AS RECEPTOR TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-02-04 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 (3 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-20100029633-A1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS AS RECEPTOR TYROSINE KINASE INHIBITORS PIM1, PIM3, PIM2 KMT2A 543/4885ALDH1A1 717/4885POLB 3600/4885
US-20100144751-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS AS RECEPTOR TYROSINE KINASE INHIBITORS PIM1, PIM3, PIM2 KMT2A 1354/4885ALDH1A1 405/4885POLB 3934/4885
US-20230167131-A1 HETEROCYCLIC PAD4 INHIBITORS PADI4, PADI2, PADI6 KMT2A 870/4885ALDH1A1 104/4885POLB 617/4885

“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.