SCHEMBL19747786

SCHEMBL19747786

CC(=O)OCC12CC(NC(=O)OCc3ccccc3)(CO1)C2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
CTSB P07858 3/20 0.44
CTSS P25774 3/20 0.44
CTSL P07711 2/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ATM Q13315 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 2/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
CTSK P43235 2/20 0.40
LMNA P02545 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
GAA P10253 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 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
SCHEMBL19748567 0.88 NPC1 (0.44) ALDH1A1CTSBCTSSCTSLNPC1
SCHEMBL27191070 0.85 NPC1 (0.42) ALDH1A1CTSBCTSSCTSLNPC1
SCHEMBL19747599 0.83 NPC1 (0.47) ALDH1A1CTSBCTSSCTSLNPC1
SCHEMBL22553243 0.80 ATM (0.45) ALDH1A1CTSBCTSSCTSLNPC1
SCHEMBL22553220 0.78 NPC1 (0.42) ALDH1A1CTSBCTSSCTSLNPC1
SCHEMBL26700737 0.77 NPC1 (0.41) ALDH1A1CTSBCTSSCTSLNPC1
SCHEMBL29409105 0.76 ALDH1A1 (0.50) ALDH1A1CTSBCTSSCTSLNPC1
SCHEMBL20944323 0.74 CTSB (0.44) ALDH1A1CTSBCTSSCTSLNPC1
SCHEMBL20944223 0.74 CTSB (0.45) ALDH1A1CTSBCTSSCTSLNPC1
SCHEMBL30059309 0.74 LMNA (0.49) ALDH1A1CTSBCTSSCTSLNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030885-B2 Substituted imidazo[2,1-f][1,2,4]triazines as PI3K-gamma inhibitors INCYTE CORPORATION (US) 2024-07-09 US disclosed
US-20220251087-A1 HETEROCYCLIC COMPOUNDS AS PI3K-y INHIBITORS INCYTE CORPORATION 2022-08-11 US disclosed
US-11306079-B2 3-(5-amino-pyrazin-2-yl)-benzenesulfonamide derivatives and related compounds as PI3K-gamma kinase inhibitors INCYTE CORPORATION (US) 2022-04-19 US disclosed
US-10975088-B2 Imidazo[2,1-f][1,2,4]triazine compounds as pi3k-y inhibitors INCYTE CORPORATION (US) 2021-04-13 US disclosed
US-10975088-B2 Imidazo[2,1-f][1,2,4]triazine compounds as pi3k-y inhibitors INCYTE CORPORATION (US) 2021-04-13 US disclosed
US-20200331903-A1 3-(5-AMINO-PYRAZIN-2-YL)-BENZENESULFONAMIDE DERIVATIVES AND RELATED COMPOUNDS AS PI3K-GAMMA KINASE INHIBITORS FOR TREATING E.G. CANCER INCYTE CORPORATION 2020-10-22 US disclosed
US-20200331903-A1 3-(5-AMINO-PYRAZIN-2-YL)-BENZENESULFONAMIDE DERIVATIVES AND RELATED COMPOUNDS AS PI3K-GAMMA KINASE INHIBITORS FOR TREATING E.G. CANCER INCYTE CORPORATION 2020-10-22 US disclosed
US-20200102315-A1 HETEROCYCLIC COMPOUNDS AS PI3K-y INHIBITORS INCYTE CORPORATION 2020-04-02 US disclosed
US-10479795-B2 Substituted imidazo[2,1-f][1,2,4]triazines, substituted imidazo[1,2-a]pyridines and substituted imidazo[1,2-b]pyridazines as PI3K-gamma inhibitors INCYTE CORPORATION (US) 2019-11-19 US disclosed
US-10479795-B2 Substituted imidazo[2,1-f][1,2,4]triazines, substituted imidazo[1,2-a]pyridines and substituted imidazo[1,2-b]pyridazines as PI3K-gamma inhibitors INCYTE CORPORATION (US) 2019-11-19 US disclosed
US-20190119287-A1 HETEROCYCLIC COMPOUNDS AS PI3K-y INHIBITORS INCYTE CORPORATION 2019-04-25 US disclosed
US-20190119287-A1 HETEROCYCLIC COMPOUNDS AS PI3K-y INHIBITORS INCYTE CORPORATION 2019-04-25 US disclosed
US-10138248-B2 Substituted imidazo[2,1-f][1,2,4]triazines, substituted imidazo[1,2-a]pyridines, substituted imidazo[1,2-b]pyridazines and substituted imidazo[1,2-a]pyrazines as PI3K-γ inhibitors INCYTE CORPORATION (US) 2018-11-27 US disclosed
US-20180009816-A1 HETEROCYCLIC COMPOUNDS AS PI3K-y INHIBITORS INCYTE CORPORATION 2018-01-11 US disclosed
US-20180009816-A1 HETEROCYCLIC COMPOUNDS AS PI3K-y INHIBITORS INCYTE CORPORATION 2018-01-11 US disclosed
WO-2017223414-A1 HETEROCYCLIC COMPOUNDS AS PI3K-γ INHIBITORS INCYTE CORPORATION (US) 2017-12-28 WO 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 (10 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-10479795-B2 Substituted imidazo[2,1-f][1,2,4]triazines, substituted imidazo[1,2-a]pyridines and substituted imidazo[1,2-b]pyridazines as PI3K-gamma inhibitors PIK3CG, PIK3CD, PIK3CA ALDH1A1 1354/4885CTSB 4397/4885CTSS 4410/4885
US-12030885-B2 Substituted imidazo[2,1-f][1,2,4]triazines as PI3K-gamma inhibitors PIK3CG, PIK3CD, PIK3R5 ALDH1A1 1774/4885CTSB 4527/4885CTSS 4404/4885
US-20200331903-A1 3-(5-AMINO-PYRAZIN-2-YL)-BENZENESULFONAMIDE DERIVATIVES AND RELATED COMPOUNDS AS PI3K-GAMMA KINASE INHIBITORS FOR TREATING E.G. CANCER PIK3CG, PIK3R5, PIK3CD ALDH1A1 3382/4885CTSB 3884/4885CTSS 3428/4885
US-20200102315-A1 HETEROCYCLIC COMPOUNDS AS PI3K-y INHIBITORS PIK3R5, PIK3CA, PIK3CD ALDH1A1 3638/4885CTSB 3160/4885CTSS 3748/4885
US-11306079-B2 3-(5-amino-pyrazin-2-yl)-benzenesulfonamide derivatives and related compounds as PI3K-gamma kinase inhibitors PIK3CG, PIK3CD, PIK3CA ALDH1A1 3432/4885CTSB 3982/4885CTSS 3875/4885
US-10138248-B2 Substituted imidazo[2,1-f][1,2,4]triazines, substituted imidazo[1,2-a]pyridines, substituted imidazo[1,2-b]pyridazines and substituted imidazo[1,2-a]pyrazines as PI3K-γ inhibitors PIK3CA, PIK3CG, PIK3CD ALDH1A1 1168/4885CTSB 4527/4885CTSS 4510/4885
US-10975088-B2 Imidazo[2,1-f][1,2,4]triazine compounds as pi3k-y inhibitors PIK3R5, PIK3CD, PIK3CA ALDH1A1 2818/4885CTSB 4455/4885CTSS 4404/4885
US-20190119287-A1 HETEROCYCLIC COMPOUNDS AS PI3K-y INHIBITORS PIK3R5, PIK3CA, PIK3CD ALDH1A1 3638/4885CTSB 3160/4885CTSS 3748/4885
US-20180009816-A1 HETEROCYCLIC COMPOUNDS AS PI3K-y INHIBITORS PIK3R5, PIK3CA, PIK3CD ALDH1A1 3638/4885CTSB 3160/4885CTSS 3748/4885
US-20220251087-A1 HETEROCYCLIC COMPOUNDS AS PI3K-y INHIBITORS PIK3R5, PIK3CA, PIK3CD ALDH1A1 3638/4885CTSB 3160/4885CTSS 3748/4885

“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.