SCHEMBL23949542

SCHEMBL23949542

CC(C)Cc1ccc2c(c1)ncn2C(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.56
NPC1 O15118 9/20 0.56
KDM4E B2RXH2 7/20 0.56
HCAR3 P49019 1/20 0.54
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 7/20 0.47
ALDH1A1 P00352 5/20 0.47
GAA P10253 3/20 0.47
NPSR1 Q6W5P4 1/20 0.47
GFER P55789 2/20 0.46
HPGD P15428 4/20 0.45
TP53 P04637 2/20 0.43
HSD17B10 Q99714 4/20 0.42
IDE P14735 1/20 0.42
POLB P06746 2/20 0.41
P2RX3 P56373 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL22185867 0.85 RAB9A (0.57) RAB9ANPC1KDM4EHCAR3MAPT
SCHEMBL20932206 0.84 RAB9A (0.56) RAB9ANPC1KDM4EHCAR3MAPT
SCHEMBL19553943 0.84 RAB9A (0.56) RAB9ANPC1KDM4EHCAR3MAPT
SCHEMBL3437994 0.84 HCAR3 (0.57) RAB9ANPC1KDM4EHCAR3MAPT
SCHEMBL14518826 0.82 NPC1 (0.53) RAB9ANPC1KDM4EMAPTSMN1; SMN2
SCHEMBL22299570 0.81 RAB9A (0.53) RAB9ANPC1KDM4EHCAR3MAPT
SCHEMBL12870513 0.79 POLB (0.62) RAB9ANPC1KDM4EMAPTSMN1; SMN2
SCHEMBL11396992 0.76 RAB9A (0.61) RAB9ANPC1KDM4EHCAR3MAPT
SCHEMBL20665086 0.75 HCAR3 (0.58) RAB9ANPC1KDM4EHCAR3MAPT
SCHEMBL7031069 0.75 HCAR3 (0.58) RAB9ANPC1KDM4EHCAR3MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210323922-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. (US) 2021-10-21 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-20210323922-A1 PD-1/PD-L1 INHIBITORS CD274, PDCD1, PDCD1LG2 RAB9A 1946/4885NPC1 1887/4885KDM4E 1276/4885

“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.