SCHEMBL13616256

SCHEMBL13616256

Cc1cc(C(=O)N2CCOCC2)ccc1F

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.67
ALDH1A1 P00352 3/20 0.63
KDM4E B2RXH2 2/20 0.63
GAA P10253 1/20 0.59
PHGDH O43175 1/20 0.58
PKM P14618 1/20 0.57
MAPT P10636 1/20 0.55
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HSP90AA1 P07900 2/20 0.55
HSP90AB1 P08238 2/20 0.55
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
GLA P06280 1/20 0.53
MYC P01106 1/20 0.53
ERN1 O75460 1/20 0.53
AKR1C3 P42330 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL10194842 0.88 HPGD (0.71) HPGDALDH1A1KDM4EGAAPHGDH
SCHEMBL24746291 0.86 HPGD (0.58) HPGDALDH1A1HTTSMN1; SMN2KMT2A
SCHEMBL12311738 0.86 HPGD (0.77) HPGDALDH1A1KDM4EGAAPHGDH
SCHEMBL24746292 0.86 HPGD (0.62) HPGDALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL18587800 0.84 HPGD (0.57) HPGDALDH1A1KDM4EGAAPHGDH
SCHEMBL29588971 0.84 HPGD (0.57) HPGDALDH1A1KDM4EGAAPHGDH
SCHEMBL12217759 0.83 HPGD (0.68) HPGDALDH1A1KDM4EGAAPHGDH
SCHEMBL14345351 0.83 KMT2A (0.77) HPGDALDH1A1KMT2AMEN1ERN1
SCHEMBL2376730 0.82 HPGD (0.67) HPGDALDH1A1KDM4EGAAPHGDH
SCHEMBL2378109 0.82 HPGD (0.67) HPGDALDH1A1KDM4EGAAPHGDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324225-B2 Pyrrolopyrimidine compounds and their uses NOVARTIS AG (CH) 2012-12-04 US disclosed
US-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses ASTEX THERAPEUTICS LTD. 2009-12-24 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-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses PRKDC, TK2, PNKP HPGD 824/4885ALDH1A1 1780/4885KDM4E 2611/4885

“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.