SCHEMBL861027

SCHEMBL861027

O=C1NC(=O)C(=Cc2cnn3ccc(Nc4cccc(Cl)c4)nc23)N1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CSNK2B P67870 7/20 0.46
PIM1 P11309 7/20 0.38
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NLRP3 Q96P20 1/20 0.36
KDM4E B2RXH2 3/20 0.36
PKM P14618 1/20 0.36
PIM2 Q9P1W9 4/20 0.35
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
HTR3A P46098 1/20 0.35
ROCK1 Q13464 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35
MAPK1 P28482 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
SCHEMBL12978737 1.00 CSNK2B (0.46) CSNK2BPIM1ALDH1A1HPGDNPC1
SCHEMBL861026 1.00 CSNK2B (0.46) CSNK2BPIM1ALDH1A1HPGDNPC1
SCHEMBL19527184 0.89 KDM4E (0.46) CSNK2BPIM1ALDH1A1HPGDNPC1
SCHEMBL12979564 0.88 GSK3B (0.42) CSNK2BPIM1ALDH1A1HPGDSMN1; SMN2
SCHEMBL860453 0.88 GSK3B (0.42) CSNK2BPIM1ALDH1A1HPGDSMN1; SMN2
SCHEMBL860452 0.88 GSK3B (0.42) CSNK2BPIM1ALDH1A1HPGDSMN1; SMN2
SCHEMBL860677 0.86 TYK2 (0.41) CSNK2BPIM1ALDH1A1HPGDNPC1
SCHEMBL12978962 0.86 TYK2 (0.41) CSNK2BPIM1ALDH1A1HPGDNPC1
SCHEMBL860678 0.86 TYK2 (0.41) CSNK2BPIM1ALDH1A1HPGDNPC1
SCHEMBL14679082 0.85 PIM1 (0.39) CSNK2BPIM1NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367681-B2 Pyrazolopyrimidines and related heterocycles as kinase inhibitors CYLENE PHARMACEUTICALS, INC. (US) 2013-02-05 US disclosed
EP-2432473-A1 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS KINASE INHIBITORS Cylene Pharmaceuticals, Inc. (US) 2012-03-28 EP disclosed
US-20100331314-A1 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS KINASE INHIBITORS SENHWA BIOSCIENCES, INC. (TW) 2010-12-30 US disclosed
WO-2010135581-A1 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS KINASE INHIBITORS CYLENE PHARMACEUTICALS, INC. (US) 2010-11-25 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-20100331314-A1 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS KINASE INHIBITORS PIM1, PIM2, PIM3 CSNK2B 71/4885PIM1 1/4885ALDH1A1 2734/4885

“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.