SCHEMBL17660397

SCHEMBL17660397

CCc1nc(C(=O)NCC(C)C)no1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.47
HPGD P15428 5/20 0.47
ALDH1A1 P00352 3/20 0.43
GAA P10253 2/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
HDAC4 P56524 1/20 0.40
NPC1 O15118 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
HTT P42858 1/20 0.40
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
HSD17B10 Q99714 2/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL17660275 0.77 RAB9A (0.43) RAB9AHPGDALDH1A1GAAKMT2A
SCHEMBL17660252 0.77 HDAC4 (0.48) RAB9AHPGDALDH1A1GAAKMT2A
SCHEMBL20878526 0.75 SMYD3 (0.52) RAB9AHPGDALDH1A1GAAKMT2A
SCHEMBL17660277 0.75 HDAC4 (0.46) RAB9AHPGDALDH1A1GAAKMT2A
SCHEMBL3852258 0.72 APOBEC3A (0.35) RAB9AHPGDALDH1A1GAAKMT2A
SCHEMBL15332383 0.72 APOBEC3A (0.35) RAB9AHPGDALDH1A1GAAKMT2A
SCHEMBL11834956 0.71 ALDH1A1 (0.46) RAB9AALDH1A1KMT2ANPC1HTT
SCHEMBL19483580 0.69 RAB9A (0.78) RAB9AHPGDALDH1A1NPC1SMN1; SMN2
SCHEMBL19483589 0.69 KMT2A (0.49) RAB9AHPGDALDH1A1GAAKMT2A
SCHEMBL6230415 0.68 ALOX15 (0.33) HPGDALDH1A1SMN1; SMN2LMNAHSD17B10

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-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-04-07 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-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN RAB9A 1796/4885HPGD 3809/4885ALDH1A1 4687/4885

“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.