SCHEMBL1440501

SCHEMBL1440501

O=C1NC(c2cccnc2)CO1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.50
CHRNA4 P43681 5/20 0.50
CYP19A1 P11511 4/20 0.48
CHRNA7 P36544 4/20 0.46
CYP2A6 P11509 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C19 P33261 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP11B2 P19099 1/20 0.42
MAPT P10636 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
KDM4E B2RXH2 2/20 0.41

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
SCHEMBL1440498 1.00 CHRNB2 (0.50) CHRNB2CHRNA4CYP19A1CHRNA7CYP2A6
SCHEMBL16364186 0.86 CYP11B1 (0.47) CYP19A1CYP2A6MEN1CYP2C19CYP1A2
SCHEMBL14846669 0.81 DDB1 (0.38) CYP19A1CYP2C19SMN1; SMN2CYP1A2MAPT
SCHEMBL19177779 0.81 DDB1 (0.38) CYP19A1CYP2C19SMN1; SMN2CYP1A2MAPT
SCHEMBL4562 0.80 SMN1; SMN2 (0.42) CYP19A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL16106147 0.80 SMN1; SMN2 (0.42) CYP19A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL445133 0.80 SMN1; SMN2 (0.42) CYP19A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL4563 0.80 SMN1; SMN2 (0.42) CYP19A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL2909384 0.79 AR (0.41) CYP19A1MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL1438781 0.75 TNKS (0.35) HDAC1

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
EP-2771337-B1 3-(PYRIMIDIN-4-YL)-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2017-08-02 EP disclosed
US-8865726-B2 Substituted pyrazolo[1,5-a]pyrimidine compounds as mTOR inhibitors ARRAY BIOPHARMA INC. (US) 2014-10-21 US disclosed
US-20120178715-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS ARRAY BIOPHARMA INC. (US) 2012-07-12 US disclosed
WO-2011029027-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-03-10 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-20120178715-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MTOR, RICTOR, EIF4EBP1 CHRNB2 4821/4885CHRNA4 4730/4885CYP19A1 659/4885

“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.