SCHEMBL12733328

SCHEMBL12733328

CC(C)(C)c1ncnc2cccnc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 2/20 0.41
▸ HSP90AA1 P07900 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ PRMT5 O14744 1/20 0.36
▸ KDM4E B2RXH2 6/20 0.35
▸ MAPT P10636 4/20 0.35
▸ LMNA P02545 3/20 0.35
▸ GMNN O75496 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MMP2 P08253 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ MMP9 P14780 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ MMP8 P22894 1/20 0.35
▸ CCR1 P32246 1/20 0.35
▸ THPO P40225 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
SCHEMBL14289099 0.76 HSP90AA1 (0.35) HSP90AA1NPC1L3MBTL1PRMT5KDM4E
SCHEMBL22762898 0.75 GRM4 (0.33) EGFRNPC1L3MBTL1KDM4ELMNA
SCHEMBL22131166 0.74 PRMT5 (0.41) HSP90AA1NPC1L3MBTL1PRMT5KDM4E
SCHEMBL20329008 0.74 MEN1 (0.36) KDM4EMAPTCCR1CCR5CCR8
SCHEMBL13454691 0.74 HSP90AA1 (0.45) EGFRHSP90AA1NPC1L3MBTL1PRMT5
SCHEMBL803121 0.72 PI4KA (0.50) EGFRNPC1L3MBTL1LMNATSHR
SCHEMBL8585181 0.72 MAPT (0.46) EGFRHSP90AA1NPC1L3MBTL1KDM4E
SCHEMBL10327466 0.71 ALDH1A1 (0.40) EGFRHSP90AA1NPC1L3MBTL1PRMT5
SCHEMBL12733330 0.71 CCR1 (0.52) HSP90AA1L3MBTL1KDM4EMAPTLMNA
SCHEMBL22792600 0.70 HSP90AA1 (0.34) HSP90AA1NPC1L3MBTL1PRMT5KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11787793-B2 Heterocyclic compounds as immunomodulators INCYTE CORPORATION (US) 2023-10-17 — — US disclosed
US-20230002361-A1 2H-INDAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE BIOGEN MA INC. 2023-01-05 — — US disclosed
US-11266643-B2 Triaryl compounds for treatment of PD-L1 diseases CHEMOCENTRYX, INC. (US) 2022-03-08 — — US disclosed
US-11021467-B2 Phosphatidylinositol 3-kinase inhibitors GILEAD SCIENCES, INC. (US) 2021-06-01 — — US disclosed
WO-2020163193-A1 BICYCLIC ETHER O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLUCOPYRANOSIDASE INHIBITORS BIOGEN MA INC. (US) 2020-08-13 — — WO disclosed
US-10308639-B2 Phosphatidylinositol 3-kinase inhibitors GILEAD SCIENCES, INC. (US) 2019-06-04 — — US disclosed
US-10308644-B2 Heterocyclic compounds as immunomodulators INCYTE CORPORATION (US) 2019-06-04 — — US disclosed
US-20180179197-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION 2018-06-28 — — US disclosed
US-20180179197-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION 2018-06-28 — — US disclosed
US-20150361054-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. 2015-12-17 — — US disclosed
US-20150361095-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. 2015-12-17 — — US disclosed
US-20150307520-A1 NOVEL HETEROARYL AND HETEROCYCLE COMPOUNDS, COMPOSITIONS AND METHODS THEREOF HUTCHISON MEDIPHARMA LTD (CN) 2015-10-29 — — US disclosed
US-20150291593-A1 NOVEL HETEROARYL AND HETEROCYCLE COMPOUNDS, COMPOSITIONS AND METHODS HUTCHISON MEDIPHARMA LTD (CN) 2015-10-15 — — US disclosed
US-20110098305-A1 ARYLSULFONAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE BAELL JONATHAN BAYLDON 2011-04-28 — — 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 (12 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-20150307520-A1 NOVEL HETEROARYL AND HETEROCYCLE COMPOUNDS, COMPOSITIONS AND METHODS THEREOF PIK3C3, PIK3C2B, PIK3C2A EGFR 1670/4885HSP90AA1 2191/4885NPC1 2926/4885
US-10308639-B2 Phosphatidylinositol 3-kinase inhibitors PIK3CA, AKT3, AKT2 EGFR 723/4885HSP90AA1 3257/4885NPC1 1252/4885
US-20150361095-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3CA, AKT3, PIK3CD EGFR 963/4885HSP90AA1 3383/4885NPC1 1786/4885
US-20230002361-A1 2H-INDAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE IRAK4, IRAK3, IRAK2 EGFR 874/4885HSP90AA1 4076/4885NPC1 2601/4885
US-20150361054-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3CA, AKT3, PIK3CB EGFR 859/4885HSP90AA1 3348/4885NPC1 1543/4885
US-20150291593-A1 NOVEL HETEROARYL AND HETEROCYCLE COMPOUNDS, COMPOSITIONS AND METHODS PIK3C2B, PIK3C3, PIK3C2A EGFR 1517/4885HSP90AA1 1642/4885NPC1 2442/4885
US-11787793-B2 Heterocyclic compounds as immunomodulators CD74, IL2, ICOS EGFR 3005/4885HSP90AA1 662/4885NPC1 945/4885
US-10308644-B2 Heterocyclic compounds as immunomodulators CD74, IL2, ICOS EGFR 3005/4885HSP90AA1 662/4885NPC1 945/4885
US-20180179197-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS CD74, IL2, ICOS EGFR 3005/4885HSP90AA1 662/4885NPC1 945/4885
US-20110098305-A1 ARYLSULFONAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE BAX, API5, BCL2 EGFR 3840/4885HSP90AA1 1304/4885NPC1 2292/4885
US-11266643-B2 Triaryl compounds for treatment of PD-L1 diseases CD274, PDCD1, PDCD1LG2 EGFR 1219/4885HSP90AA1 3761/4885NPC1 1417/4885
US-11021467-B2 Phosphatidylinositol 3-kinase inhibitors PIK3CA, PIK3C2B, PIK3CB EGFR 770/4885HSP90AA1 3401/4885NPC1 1544/4885

“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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