SCHEMBL13815624

SCHEMBL13815624

COC(=O)n1nc(N2CCOCC2)cc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 6/20 0.41
▸ PIK3C2B O00750 6/20 0.41
▸ MTOR P42345 6/20 0.41
▸ PIK3CG P48736 6/20 0.41
▸ CRHBP P24387 1/20 0.41
▸ CRHR2 Q13324 1/20 0.41
▸ CYP2C19 P33261 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ KMO O15229 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ PIK3CA P42336 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ IKBKB O14920 1/20 0.39

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
SCHEMBL13815722 0.86 SMN1; SMN2 (0.42) CRHBPCRHR2RAB9AMEN1KMT2A
SCHEMBL13896446 0.77 EGFR (0.40) PIK3CDRAB9AMEN1KMT2APOLB
SCHEMBL13815574 0.75 PIK3CA (0.43) ALDH1A1TSHRPIK3CAKDM4EGAA
SCHEMBL13815577 0.74 AKT1 (0.46) POLBALDH1A1TSHRPIK3CAKDM4E
SCHEMBL1505634 0.69 PIK3CB (0.47) PIK3CDCRHBPCRHR2MEN1KMT2A
SCHEMBL15054593 0.68 AKT1 (0.48) PIK3CDCRHBPCRHR2RAB9AMEN1
SCHEMBL24921343 0.65 KMO (0.69) CYP2C19RAB9AMEN1KMT2AKMO
SCHEMBL13896431 0.65 NPC1 (0.43) RAB9AKMT2AKMOALDH1A1GAA
SCHEMBL31706217 0.65 KMO (0.69) CYP2C19RAB9AMEN1KMT2AKMO
SCHEMBL13336854 0.65 KMT2A (0.57) CRHBPCRHR2RAB9AMEN1KMT2A

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-8314098-B2 Pyrazolo-pyrimidine compounds AJINOMOTO CO., INC. (JP) 2012-11-20 — — US disclosed
US-8314098-B2 Pyrazolo-pyrimidine compounds AJINOMOTO CO., INC. (JP) 2012-11-20 — — US disclosed
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
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 PIK3CD 1105/4885PIK3C2B 1115/4885MTOR 331/4885

“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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