SCHEMBL21584829

SCHEMBL21584829

CCc1cc2nc(O)cc(C)n2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 2/20 0.39
KDM4E B2RXH2 12/20 0.38
NPC1 O15118 7/20 0.38
RAB9A P51151 7/20 0.38
MAPT P10636 4/20 0.36
ALDH1A1 P00352 9/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HSD17B10 Q99714 3/20 0.35
MAPK1 P28482 1/20 0.35
HPGD P15428 5/20 0.35
HCRTR1 O43613 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
POLB P06746 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
GAA P10253 2/20 0.33
AHR P35869 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL15807120 0.82 PIK3CG (0.58) PIK3CGKDM4ENPC1RAB9AMAPT
SCHEMBL21584826 0.79 NPC1 (0.40) PIK3CGKDM4ENPC1RAB9AMAPT
SCHEMBL14211736 0.78 PIK3CG (0.47) PIK3CGKDM4ENPC1RAB9AMAPT
SCHEMBL11611384 0.69 KDM4E (0.35) PIK3CGKDM4ENPC1RAB9AMAPT
SCHEMBL10617015 0.69 PIK3CG (0.39) PIK3CGKDM4ENPC1RAB9AMAPT
SCHEMBL18780734 0.69 TLR7 (0.44) KDM4EMAPTAPLNR
SCHEMBL5437664 0.68 NOS3 (0.30)
SCHEMBL13827864 0.67 NOS2 (0.57) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL8822880 0.67 PIK3CG (0.61) PIK3CGKDM4ENPC1RAB9AMAPT
SCHEMBL22686367 0.67 PDE10A (0.44) NPC1RAB9APDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111801328-B Autotaxin inhibitors and uses thereof 四川海思科制药有限公司 2023-06-02 CN disclosed
US-11040972-B2 Autotaxin inhibitors and uses thereof SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2021-06-22 US disclosed
US-11040972-B2 Autotaxin inhibitors and uses thereof SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2021-06-22 US disclosed
US-20200354357-A1 AUTOTAXIN INHIBITORS AND USES THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2020-11-12 US disclosed
US-20200354357-A1 AUTOTAXIN INHIBITORS AND USES THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2020-11-12 US disclosed
US-10711000-B2 Autotaxin inhibitors and uses thereof FRONTHERA U.S. PHARMACEUTICALS LLC (US) 2020-07-14 US disclosed
US-10711000-B2 Autotaxin inhibitors and uses thereof FRONTHERA U.S. PHARMACEUTICALS LLC (US) 2020-07-14 US disclosed
WO-2019228403-A1 AUTOTAXIN INHIBITORS AND USES THEREOF FRONTHERA U.S. PHARMACEUTICALS LLC (US) 2019-12-05 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 (3 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-10711000-B2 Autotaxin inhibitors and uses thereof ENPP2, SERPINB1, RNASE1 PIK3CG 2414/4885KDM4E 4245/4885NPC1 2850/4885
US-11040972-B2 Autotaxin inhibitors and uses thereof ENPP2, SERPINB1, RNASE1 PIK3CG 2414/4885KDM4E 4245/4885NPC1 2850/4885
US-20200354357-A1 AUTOTAXIN INHIBITORS AND USES THEREOF ENPP2, SERPINB1, RNASE1 PIK3CG 2414/4885KDM4E 4245/4885NPC1 2850/4885

“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.