SCHEMBL22085166

SCHEMBL22085166

Cc1nc(N2CCOCC2)c2cccn2n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.58
MAP4K4 O95819 1/20 0.57
HTR1A P08908 1/20 0.47
HTR2C P28335 1/20 0.47
POLB P06746 1/20 0.45
LMNA P02545 2/20 0.44
MAPK1 P28482 2/20 0.44
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 3/20 0.42
HSD17B10 Q99714 3/20 0.42
CYP3A4 P08684 2/20 0.42
HDAC1 Q13547 1/20 0.42
PIK3CD O00329 1/20 0.42
PIK3CB P42338 1/20 0.42
PIK3CG P48736 1/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 2/20 0.41
NPY5R Q15761 1/20 0.41
MAPT P10636 1/20 0.40

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
SCHEMBL30131091 0.89 PIK3CA (0.45) PIK3CAMAP4K4HTR1AHTR2C
SCHEMBL22085147 0.84 PIK3CA (0.60) PIK3CAMAP4K4HTR1AHTR2CPOLB
SCHEMBL22085180 0.82 PIK3CA (0.58) PIK3CAMAP4K4HTR1AHTR2CPOLB
SCHEMBL22086986 0.82 PIK3CA (0.58) PIK3CAMAP4K4HTR1AHTR2CPOLB
SCHEMBL22085155 0.79 PIK3CA (0.72) PIK3CAMAP4K4LMNAMAPK1KDM4E
SCHEMBL22085175 0.79 ATR (0.47) PIK3CA
SCHEMBL22085229 0.77 L3MBTL1 (0.43) PIK3CALMNAMAPK1KDM4EALDH1A1
SCHEMBL22085160 0.77 PIK3CA (0.69) PIK3CAMAP4K4HTR1AHTR2CLMNA
SCHEMBL22085234 0.76 PIK3CA (0.36) PIK3CAMAP4K4
SCHEMBL22085148 0.76 PIK3CA (0.74) PIK3CAMAP4K4HTR1AHTR2CLMNA

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-11242346-B2 Mechanistic target of rapamycin signaling pathway inhibitors and therapeutic applications thereof SUZHOU KINTOR PHARMACEUTICALS, INC. (CN) 2022-02-08 US disclosed
US-20200181147-A1 MECHANISTIC TARGET OF RAPAMYCIN SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF SUZHOU KINTOR PHARMACEUTICALS, INC. (CN) 2020-06-11 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 (2 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-11242346-B2 Mechanistic target of rapamycin signaling pathway inhibitors and therapeutic applications thereof MTOR, RPTOR, RICTOR PIK3CA 20/4885MAP4K4 170/4885HTR1A 3797/4885
US-20200181147-A1 MECHANISTIC TARGET OF RAPAMYCIN SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF MTOR, RPTOR, RICTOR PIK3CA 20/4885MAP4K4 170/4885HTR1A 3797/4885

“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.