SCHEMBL20133640

SCHEMBL20133640

CC1c2ncccc2C(=O)N1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.42
ADORA2A P29274 2/20 0.42
ADORA1 P30542 2/20 0.42
KDM4E B2RXH2 4/20 0.41
HKDC1 Q2TB90 2/20 0.41
ALDH1A1 P00352 8/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GFER P55789 1/20 0.39
TDP1 Q9NUW8 3/20 0.38
TDP2 O95551 1/20 0.38
NSD2 O96028 1/20 0.38
ABL1 P00519 1/20 0.38
PLCG1 P19174 1/20 0.38
CES1 P23141 1/20 0.38
PAX8 Q06710 1/20 0.38
RIN1 Q13671 1/20 0.38
THRB P10828 1/20 0.38
BLM P54132 1/20 0.38
GAA P10253 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
SCHEMBL22623800 0.72 KDM4E (0.45) KDM4EHKDC1ALDH1A1TDP1GAA
SCHEMBL25028923 0.71 TDP2 (0.34) KDM4EALDH1A1TDP2NSD2GAA
SCHEMBL14597252 0.71 TNKS2 (0.44) ADORA3ADORA2AADORA1ALDH1A1TDP2
SCHEMBL22781268 0.70 ADORA3 (0.36) ADORA3ADORA2AADORA1KDM4EHKDC1
SCHEMBL12457552 0.70 KMT2A (0.37) KMT2APKM
SCHEMBL22792110 0.69 GPR3 (0.60) KDM4EALDH1A1MEN1KMT2ACES1
SCHEMBL19508807 0.69 CASP3 (0.45) KDM4EALDH1A1MEN1KMT2ACES1
SCHEMBL13704044 0.69 GPR3 (0.60) KDM4EALDH1A1MEN1KMT2ACES1
SCHEMBL13704120 0.69 GPR3 (0.60) KDM4EALDH1A1MEN1KMT2ACES1
SCHEMBL8713108 0.69 SHMT2 (0.59) KDM4EHKDC1ALDH1A1MEN1KMT2A

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
US-10844013-B2 Phenyl amino piperidine mTORC inhibitors and uses thereof NAVITOR PHARMACEUTICALS, INC. (US) 2020-11-24 US disclosed
US-10414727-B2 Phenyl amino piperidine mTORC inhibitors and uses thereof NAVITOR PHARMACEUTICALS, INC. (US) 2019-09-17 US disclosed
US-20180127370-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. 2018-05-10 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 (3 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-10844013-B2 Phenyl amino piperidine mTORC inhibitors and uses thereof MTOR, RICTOR, RPTOR ADORA3 3148/4885ADORA2A 3043/4885ADORA1 3521/4885
US-10414727-B2 Phenyl amino piperidine mTORC inhibitors and uses thereof MTOR, RICTOR, RPTOR ADORA3 3148/4885ADORA2A 3043/4885ADORA1 3521/4885
US-20180127370-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF MTOR, RICTOR, RPTOR ADORA3 3148/4885ADORA2A 3043/4885ADORA1 3521/4885

“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.