SCHEMBL13815604

SCHEMBL13815604

COc1ccc(-c2cc3nc(Cl)cc(Cl)n3n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.59
KDM4E B2RXH2 7/20 0.59
MAPT P10636 7/20 0.59
RAB9A P51151 6/20 0.59
HPGD P15428 6/20 0.59
NPC1 O15118 5/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
ATM Q13315 1/20 0.58
PKM P14618 1/20 0.57
CDK5 Q00535 1/20 0.57
CDK5R1 Q15078 1/20 0.57
DPP4 P27487 1/20 0.50
DPP8 Q6V1X1 1/20 0.50
DPP9 Q86TI2 1/20 0.50
HSD17B10 Q99714 2/20 0.48
TP53 P04637 2/20 0.48
LMNA P02545 2/20 0.47
MAPK1 P28482 1/20 0.46

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
SCHEMBL13896777 0.87 RAB9A (0.74) ALDH1A1KDM4EMAPTRAB9AHPGD
SCHEMBL13263841 0.84 NPC1 (0.59) ALDH1A1KDM4EMAPTRAB9AHPGD
SCHEMBL13263834 0.83 KDM4E (0.58) ALDH1A1KDM4EMAPTRAB9AHPGD
SCHEMBL13263739 0.80 NPC1 (0.55) ALDH1A1KDM4EMAPTRAB9AHPGD
SCHEMBL13263646 0.80 NPC1 (0.53) ALDH1A1KDM4EMAPTRAB9AHPGD
SCHEMBL5564416 0.79 MAPT (0.61) ALDH1A1KDM4EMAPTRAB9AHPGD
SCHEMBL13263734 0.79 KDM4E (0.56) ALDH1A1KDM4EMAPTRAB9AHPGD
SCHEMBL24378416 0.78 PDE10A (0.50) ALDH1A1KDM4EMAPTRAB9ANPC1
SCHEMBL12465793 0.77 MAPT (0.53) ALDH1A1KDM4EMAPTRAB9AHPGD
SCHEMBL13263731 0.75 DPP4 (0.50) ALDH1A1KDM4EMAPTRAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8314098-B2 Pyrazolo-pyrimidine compounds AJINOMOTO CO., INC. (JP) 2012-11-20 US disclosed
US-20110294781-A1 PYRAZOLO-PYRIMIDINE COMPOUNDS AJINOMOTO CO., INC. (JP) 2011-12-01 US disclosed
US-20110294781-A1 PYRAZOLO-PYRIMIDINE COMPOUNDS AJINOMOTO CO., INC. (JP) 2011-12-01 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-20110294781-A1 PYRAZOLO-PYRIMIDINE COMPOUNDS IL23R, IL2, IL17A ALDH1A1 1291/4885KDM4E 4325/4885MAPT 2414/4885

“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.