SCHEMBL17460674

SCHEMBL17460674

CC(C)c1ccc2ncc(C#N)cc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 2/20 0.48
▸ NPC1 O15118 1/20 0.37
▸ SCN4A P35499 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CYP19A1 P11511 1/20 0.37
▸ EGFR P00533 2/20 0.36
▸ ERBB2 P04626 2/20 0.36
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ PANK3 Q9H999 4/20 0.36
▸ MET P08581 2/20 0.35
▸ PSMB5 P28074 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ PIK3CB P42338 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ PIK3CG P48736 1/20 0.35
▸ PRKDC P78527 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ ATR Q13535 1/20 0.35
▸ CDC7 O00311 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
SCHEMBL17460668 0.87 HPGDS (0.59) HPGDSNPC1SCN4ARAB9ASMN1; SMN2
SCHEMBL27971152 0.84 CTSS (0.43) HPGDSEGFRERBB2PRKDC
SCHEMBL10199417 0.81 NPC1 (0.44) NPC1SCN4ARAB9ASMN1; SMN2MET
SCHEMBL15125079 0.78 HPGDS (0.51) HPGDS
SCHEMBL10262257 0.76 CYP1A2 (0.53) NPC1SCN4ARAB9ASMN1; SMN2PSMB5
SCHEMBL15701603 0.75 SLC6A2 (0.41) CYP19A1IDH1
SCHEMBL12850742 0.75 HPGDS (0.47) HPGDSCDC7HTT
SCHEMBL19514095 0.75 NPC1 (0.40) NPC1SCN4ARAB9ASMN1; SMN2MET
SCHEMBL1894034 0.75 EGFR (0.53) HPGDSSMN1; SMN2EGFRATMCDC7
SCHEMBL12850560 0.75 HPGDS (0.47) HPGDSCDC7HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2024-07-16 — — US disclosed
US-11535643-B2 Macrolides with modified desosamine sugars and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2022-12-27 — — US disclosed
US-10913764-B2 Macrolides and methods of their preparation and use PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-02-09 — — US disclosed
US-20200377542-A1 MACROLIDES WITH MODIFIED DESOSAMINE SUGARS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-12-03 — — US disclosed
US-20200361980-A1 14-MEMBERED KETOLIDES AND METHODS OF THEIR PREPARATION AND USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-11-19 — — US disclosed
US-10640528-B2 Macrolides with modified desosamine sugars and uses thereof PRESIDENT AND FELLOWS OF HAVARD COLLEGE (US) 2020-05-05 — — US disclosed
US-10633407-B2 14-membered ketolides and methods of their preparation and use PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-04-28 — — US disclosed
US-10227340-B2 Thiazolyl- or thiadiazolyl-substituted pyridyl compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-03-12 — — US disclosed
US-20180072712-A1 THIAZOLYL- OR THIADIAZOLYL-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-03-15 — — US disclosed
US-20180072712-A1 THIAZOLYL- OR THIADIAZOLYL-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-03-15 — — US disclosed
US-20180066008-A1 MACROLIDES WITH MODIFIED DESOSAMINE SUGARS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-03-08 — — US disclosed
US-20170305953-A1 14-MEMBERED KETOLIDES AND METHODS OF THEIR PREPARATION AND USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-10-26 — — US disclosed
US-9242976-B2 Thiazolyl- or thiadiazolyl-substituted pyridyl compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-26 — — 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 (11 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-20180066008-A1 MACROLIDES WITH MODIFIED DESOSAMINE SUGARS AND USES THEREOF FUT6, MGAM, B3GNT2 HPGDS 1346/4885NPC1 383/4885SCN4A 3415/4885
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 HPGDS 1575/4885NPC1 2447/4885SCN4A 2690/4885
US-20180072712-A1 THIAZOLYL- OR THIADIAZOLYL-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE INHIBITORS IRAK4, IRAK1, IRAK3 HPGDS 3675/4885NPC1 2588/4885SCN4A 1415/4885
US-11535643-B2 Macrolides with modified desosamine sugars and uses thereof FUT6, MGAM, B3GNT2 HPGDS 1346/4885NPC1 383/4885SCN4A 3415/4885
US-20170305953-A1 14-MEMBERED KETOLIDES AND METHODS OF THEIR PREPARATION AND USE CYP51A1, HSD17B7, CYP11B1 HPGDS 159/4885NPC1 1344/4885SCN4A 3349/4885
US-10227340-B2 Thiazolyl- or thiadiazolyl-substituted pyridyl compounds useful as kinase inhibitors IRAK4, IRAK1, IRAK3 HPGDS 3675/4885NPC1 2588/4885SCN4A 1415/4885
US-20200377542-A1 MACROLIDES WITH MODIFIED DESOSAMINE SUGARS AND USES THEREOF FUT6, MGAM, B3GNT2 HPGDS 1346/4885NPC1 383/4885SCN4A 3415/4885
US-10913764-B2 Macrolides and methods of their preparation and use CYP11B2, ERG28, DHCR7 HPGDS 1660/4885NPC1 141/4885SCN4A 4287/4885
US-10640528-B2 Macrolides with modified desosamine sugars and uses thereof FUT6, MGAM, B3GNT2 HPGDS 1346/4885NPC1 383/4885SCN4A 3415/4885
US-10633407-B2 14-membered ketolides and methods of their preparation and use CYP51A1, HSD17B7, CYP11B1 HPGDS 159/4885NPC1 1344/4885SCN4A 3349/4885
US-20200361980-A1 14-MEMBERED KETOLIDES AND METHODS OF THEIR PREPARATION AND USE CYP51A1, KHK, HSD17B7 HPGDS 101/4885NPC1 1047/4885SCN4A 3492/4885

“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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