SCHEMBL19939699

SCHEMBL19939699

CC(C)c1cc(F)c2nc(N)sc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
RAB9A P51151 5/20 0.53
NPC1 O15118 2/20 0.53
SCN4A P35499 1/20 0.53
HSD17B10 Q99714 1/20 0.45
NSD1 Q96L73 2/20 0.39
MAPT P10636 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
MEN1 O00255 1/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 1/20 0.38
AXL P30530 1/20 0.38
GFER P55789 1/20 0.38
CYP3A4 P08684 2/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
NSD2 O96028 1/20 0.35
NSD3 Q9BZ95 1/20 0.35

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
SCHEMBL25492745 0.81 RAB9A (0.37) ALDH1A1LMNASMN1; SMN2RAB9ANPC1
SCHEMBL21160893 0.81 RAB9A (0.36) ALDH1A1LMNASMN1; SMN2RAB9ANPC1
SCHEMBL20666431 0.80 ALDH1A1 (0.62) ALDH1A1LMNASMN1; SMN2RAB9ANPC1
SCHEMBL21161373 0.78 RAB9A (0.33) ALDH1A1SMN1; SMN2RAB9ANPC1SCN4A
SCHEMBL14044812 0.77 HSD17B10 (0.68) ALDH1A1LMNASMN1; SMN2RAB9AHSD17B10
SCHEMBL474219 0.77 ALDH1A1 (0.61) ALDH1A1LMNASMN1; SMN2RAB9ANPC1
SCHEMBL27051852 0.77 ALDH1A1 (0.57) ALDH1A1LMNASMN1; SMN2RAB9ANPC1
SCHEMBL13486437 0.76 ALDH1A1 (0.49) ALDH1A1LMNASMN1; SMN2RAB9ANPC1
SCHEMBL27051717 0.75 ALDH1A1 (0.65) ALDH1A1LMNASMN1; SMN2RAB9ANPC1
SCHEMBL27051858 0.74 ALDH1A1 (0.54) ALDH1A1LMNASMN1; SMN2RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11420976-B2 Heterocyclic compounds as anti-viral agents ENANTA PHARMACEUTICALS, INC. (US) 2022-08-23 US disclosed
US-20210238188-A1 HETEROCYCLIC COMPOUNDS AS ANTI-VIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2021-08-05 US disclosed
US-10435414-B2 Tricyclic PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2019-10-08 US disclosed
US-20180162873-A9 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2018-06-14 US disclosed
US-20180162873-A9 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2018-06-14 US disclosed
US-20180065983-A1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2018-03-08 US disclosed
US-20180065983-A1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2018-03-08 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 (5 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-10435414-B2 Tricyclic PI3K inhibitor compounds and methods of use PIK3CA, PIK3CD, PIK3CB ALDH1A1 4376/4885LMNA 2106/4885SMN1; SMN2 3668/4885
US-20210238188-A1 HETEROCYCLIC COMPOUNDS AS ANTI-VIRAL AGENTS VIP, ACE, FURIN ALDH1A1 1686/4885LMNA 2322/4885SMN1; SMN2 713/4885
US-20180065983-A1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CB ALDH1A1 4376/4885LMNA 2106/4885SMN1; SMN2 3668/4885
US-20180162873-A9 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CB ALDH1A1 4376/4885LMNA 2106/4885SMN1; SMN2 3668/4885
US-11420976-B2 Heterocyclic compounds as anti-viral agents VIP, ACE, FURIN ALDH1A1 1686/4885LMNA 2322/4885SMN1; SMN2 713/4885

“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.