SCHEMBL783438

SCHEMBL783438

CC(C)(C)c1cnc2ccccn2c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.46
ALDH1A1 P00352 10/20 0.46
SMN1; SMN2 Q16637 8/20 0.46
NPC1 O15118 7/20 0.46
RAB9A P51151 7/20 0.46
HPGD P15428 5/20 0.46
TP53 P04637 3/20 0.46
MAPT P10636 3/20 0.46
KDM4E B2RXH2 4/20 0.43
GAA P10253 3/20 0.43
HTT P42858 2/20 0.43
PKM P14618 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
POLB P06746 1/20 0.43
GLA P06280 2/20 0.42
NPSR1 Q6W5P4 2/20 0.41
GGPS1 O95749 1/20 0.41
FDPS P14324 1/20 0.41
TSHR P16473 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
SCHEMBL23868104 0.82 MAPT (0.42) ADORA3ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL14161794 0.78 MAPT (0.48) ADORA3ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL10518268 0.77 ALDH1A1 (0.56) ADORA3ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL14617654 0.76 ADORA3 (0.49) ADORA3ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL9609560 0.75 SSTR4 (0.48) ADORA3ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL14161884 0.74 MAPT (0.48) ADORA3ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL21273200 0.74 ADORA3 (0.50) ADORA3ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL23306876 0.74 ADORA3 (0.50) ADORA3ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL2228615 0.73 SMN1; SMN2 (0.48) ADORA3ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL12531879 0.73 ADORA3 (0.46) ADORA3ALDH1A1SMN1; SMN2NPC1RAB9A

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
US-10934285-B2 Compounds and compositions for inhibiting the activity of SHP2 NOVARTIS AG (CH) 2021-03-02 US disclosed
US-20120070413-A1 METHOD OF TREATING CANCER WITH SUBSTITUTED AMIDE DERIVATIVES KIM TAE-SEONG (US) 2012-03-22 US disclosed
US-20110118252-A1 SUBSTITUTED AMIDE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2011-05-19 US disclosed
US-20080312232-A1 Substituted amide derivatives and methods of use AMGEN INC. (US) 2008-12-18 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 (4 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-10934285-B2 Compounds and compositions for inhibiting the activity of SHP2 PTPN1, PTPN2, PTPN5 ADORA3 4077/4885ALDH1A1 3978/4885SMN1; SMN2 1644/4885
US-20080312232-A1 Substituted amide derivatives and methods of use HGF, HGFAC, MET ADORA3 2172/4885ALDH1A1 76/4885SMN1; SMN2 1314/4885
US-20120070413-A1 METHOD OF TREATING CANCER WITH SUBSTITUTED AMIDE DERIVATIVES HGF, HGFAC, MET ADORA3 2283/4885ALDH1A1 58/4885SMN1; SMN2 1634/4885
US-20110118252-A1 SUBSTITUTED AMIDE DERIVATIVES AND METHODS OF USE HGF, HGFAC, MET ADORA3 2172/4885ALDH1A1 76/4885SMN1; SMN2 1314/4885

“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.