SCHEMBL5348100

SCHEMBL5348100

O=C(O)C1CN(c2nc(Cl)ncc2Cl)C1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NOTUM Q6P988 9/20 0.41
HCRTR2 O43614 2/20 0.39
ABL1 P00519 2/20 0.38
BCR P11274 2/20 0.38
NMT2 O60551 1/20 0.38
NMT1 P30419 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
ALDH1A1 P00352 1/20 0.37
PIK3CD O00329 1/20 0.37
HCRTR1 O43613 1/20 0.36
PLAU P00749 1/20 0.36
MAPT P10636 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
SCHEMBL15022112 0.86 ALDH1A1 (0.50) NOTUMHCRTR2ALDH1A1PIK3CD
SCHEMBL5347384 0.85 NEK2 (0.51) NOTUMHCRTR2
SCHEMBL5361060 0.78 IDH1 (0.45) POLBTDP1L3MBTL1NMT2NMT1
SCHEMBL5779331 0.76 ACACB (0.51) POLBTDP1L3MBTL1NMT2NMT1
SCHEMBL5351528 0.75 NMT2 (0.43) POLBTDP1L3MBTL1NMT2NMT1
SCHEMBL30919884 0.74 SMN1; SMN2 (0.41) HCRTR2ABL1BCRALDH1A1PIK3CD
SCHEMBL30919755 0.73 KMT2A (0.43) TDP1L3MBTL1HCRTR2ALDH1A1MAPT
SCHEMBL4076212 0.73 KDM4E (0.48) NOTUMALDH1A1
SCHEMBL12184895 0.71 ALDH1A1 (0.55) TDP1L3MBTL1ALDH1A1MAPT
SCHEMBL22856272 0.71 PDE10A (0.47) POLBHCRTR2HCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116157122-A Imidazo [1,2-a ] pyridine compounds and their use in therapy 帝国理工学院创新有限公司 2023-05-23 CN disclosed
WO-2022058745-A9 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS AND THEIR USE IN THERAPY IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2022-05-27 WO disclosed
WO-2022058745-A2 NOVEL COMPOUNDS AND THEIR USE IN THERAPY IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2022-03-24 WO disclosed
US-7244735-B2 Heterocyclic protein kinase inhibitors and uses thereof VERTEX PHARMACEUTICALS INC. (US) 2007-07-17 US disclosed
EP-1697375-A2 HETEROCYCLIC PROTEIN KINASE INHIBITORS AND USES THEREOF Vertex Pharmaceuticals Incorporated (US) 2006-09-06 EP disclosed
US-20050245499-A1 Heterocyclic protein kinase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2005-11-03 US disclosed
WO-2005068468-A2 HETEROCYCLIC PROTEIN KINASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS, INC. (US) 2005-07-28 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-20050245499-A1 Heterocyclic protein kinase inhibitors and uses thereof JAK1, PRKCQ, SKP1 POLB 2033/4885TDP1 1789/4885L3MBTL1 1532/4885

“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.