SCHEMBL20519313

SCHEMBL20519313

O=C(O)/C=C/c1cnn(C2CCCCO2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ KDM5B Q9UGL1 1/20 0.37
▸ RXRA P19793 1/20 0.36
▸ RXRB P28702 1/20 0.36
▸ RXRG P48443 1/20 0.36
▸ MCL1 Q07820 1/20 0.36
▸ CYP4F2 P78329 3/20 0.34
▸ CYP4A11 Q02928 3/20 0.34
▸ MGLL Q99685 1/20 0.34
▸ ACHE P22303 3/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ P4HTM Q9NXG6 1/20 0.32
▸ HDAC3 O15379 1/20 0.32
▸ TNKS O95271 1/20 0.32

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
SCHEMBL20524397 1.00 NPC1 (0.43) NPC1RAB9ASMN1; SMN2KDM5BRXRA
SCHEMBL21334944 0.85 KDM5B (0.37) NPC1RAB9ASMN1; SMN2KDM5BRXRA
SCHEMBL21334896 0.83 NPC1 (0.49) NPC1RAB9AKDM5BCYP4F2CYP4A11
SCHEMBL22735145 0.81 KDM5B (0.34) NPC1RAB9AKDM5BRXRARXRB
SCHEMBL1144773 0.81 LMNA (0.41) SMN1; SMN2KDM5BRXRARXRBRXRG
SCHEMBL21001991 0.79 ALDH1A1 (0.44) NPC1RAB9ASMN1; SMN2KDM5BMCL1
SCHEMBL22713057 0.79 ALDH1A1 (0.44) NPC1RAB9ASMN1; SMN2KDM5BMCL1
SCHEMBL31180437 0.78 KDM5B (0.38) KDM5BRXRARXRBRXRGMCL1
SCHEMBL21001998 0.78 RAB9A (0.51) NPC1RAB9ASMN1; SMN2KDM5BACHE
SCHEMBL17018590 0.77 KDM5B (0.36) KDM5BRXRARXRBRXRGMCL1

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
EP-3601284-B1 NAPHTHYRIDINES AS INHIBITORS OF HPK1 HOFFMANN LA ROCHE (CH) 2023-12-27 — — EP disclosed
EP-4237413-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY Calico Life Sciences LLC (US) 2023-09-06 — — EP disclosed
CN-110678466-B Diazanaphthalenes as HPK1 inhibitors 豪夫迈·罗氏有限公司 2023-01-31 — — CN disclosed
US-11485725-B2 Derivatives of piperlongumine and uses thereof AURANSA INC. (US) 2022-11-01 — — US disclosed
WO-2022094244-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC (US) 2022-05-05 — — WO disclosed
US-20210198235-A1 DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF AURANSA INC. 2021-07-01 — — US disclosed
US-20210198235-A1 DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF AURANSA INC. 2021-07-01 — — US disclosed
US-11034692-B1 Naphthyridines as inhibitors of HPK1 GENENTECH, INC. (US) 2021-06-15 — — US disclosed
US-20200377510-A1 DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF AURANSA INC. 2020-12-03 — — US disclosed
US-20200377510-A1 DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF AURANSA INC. 2020-12-03 — — US disclosed
EP-3601284-A1 NAPHTHYRIDINES AS INHIBITORS OF HPK1 H. Hoffnabb-La Roche Ag (CH) 2020-02-05 — — EP disclosed
CN-110678466-A Naphthyridines as HPK1 inhibitors 豪夫迈·罗氏有限公司 2020-01-10 — — CN disclosed
US-10407424-B2 Naphthyridines as inhibitors of HPK1 GENENTECH, INC. (US) 2019-09-10 — — US disclosed
WO-2019103897-A1 DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF AURANSA INC. (US) 2019-05-31 — — WO disclosed
US-20180282328-A1 NAPHTHYRIDINES AS INHIBITORS OF HPK1 GENENTECH, INC. (US) 2018-10-04 — — US disclosed
WO-2018183956-A1 NAPHTHYRIDINES AS INHIBITORS OF HPK1 GENENTECH, INC. (US) 2018-10-04 — — 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 (6 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-20200377510-A1 DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF SHARPIN, PIR, THPO NPC1 2875/4885RAB9A 2063/4885SMN1; SMN2 4475/4885
US-10407424-B2 Naphthyridines as inhibitors of HPK1 NEK1, NEK5, NEK11 NPC1 420/4885RAB9A 2242/4885SMN1; SMN2 3776/4885
US-20180282328-A1 NAPHTHYRIDINES AS INHIBITORS OF HPK1 NEK1, NEK5, NEK11 NPC1 420/4885RAB9A 2242/4885SMN1; SMN2 3776/4885
US-11034692-B1 Naphthyridines as inhibitors of HPK1 NEK1, NEK5, NEK11 NPC1 420/4885RAB9A 2242/4885SMN1; SMN2 3776/4885
US-20210198235-A1 DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF THPO, PIR, PAK6 NPC1 868/4885RAB9A 1941/4885SMN1; SMN2 4277/4885
US-11485725-B2 Derivatives of piperlongumine and uses thereof PIR, THPO, DHPS NPC1 768/4885RAB9A 1731/4885SMN1; SMN2 4366/4885

“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.

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