SCHEMBL16714596

SCHEMBL16714596

O=C(O)N1CC2C(=O)N(Cc3ccccc3)C(=O)C2(F)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 6/20 0.40
EP300 Q09472 1/20 0.39
ELANE P08246 3/20 0.39
GAA P10253 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
STAT6 P42226 1/20 0.39
HIF1A Q16665 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HSD17B10 Q99714 1/20 0.38
TSHR P16473 1/20 0.38
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL16724580 0.84 RORC (0.45) CYP19A1ALDH1A1
SCHEMBL20274598 0.83 CYP19A1 (0.47) CYP19A1MEN1KMT2AALDH1A1EP300
SCHEMBL16724579 0.83 CYP19A1 (0.47) CYP19A1MEN1KMT2AALDH1A1EP300
SCHEMBL28706015 0.69 TSHR (0.39) MEN1KMT2AALDH1A1GAACYP3A4
SCHEMBL8968925 0.66 CYP19A1 (0.82) CYP19A1MEN1KMT2AALDH1A1ELANE
SCHEMBL20722495 0.65 S1PR5 (0.49) MEN1KMT2AALDH1A1SMN1; SMN2TSHR
SCHEMBL26965338 0.65 RIPK1 (0.41) MEN1KMT2AALDH1A1CYP2C9HPGD
SCHEMBL15719254 0.63 CTSL (0.40) ALDH1A1CYP2C19SMN1; SMN2
SCHEMBL28701185 0.62 GRM6 (0.41) MEN1KMT2AALDH1A1SMN1; SMN2TSHR
SCHEMBL6609510 0.62 S1PR5 (0.53) MEN1KMT2AALDH1A1HPGDSMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3071570-B1 2,6-SUBSTITUTED PURINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS PFIZER (US) 2018-06-20 EP disclosed
US-9290496-B2 Purine derivatives PFIZER INC. (US) 2016-03-22 US disclosed
US-20150141402-A1 PURINE DERIVATIVES PFIZER INC. (US) 2015-05-21 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-20150141402-A1 PURINE DERIVATIVES ADORA3, ADORA1, HPRT1 CYP19A1 1935/4885MEN1 1230/4885KMT2A 2190/4885

“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.