SCHEMBL16260596

SCHEMBL16260596

CC(C)CN1CCN(C)C(=O)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 5/20 1.00
▸ COMT P21964 1/20 0.43
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ BRD4 O60885 1/20 0.35
▸ BRD2 P25440 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ APEX1 P27695 1/20 0.35
▸ THPO P40225 1/20 0.35
▸ PMP22 Q01453 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ DPP4 P27487 1/20 0.33
▸ GPR55 Q9Y2T6 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
SCHEMBL22494156 0.82 PIK3CD (0.70) PIK3CDNPC1RAB9AL3MBTL1BRD4
SCHEMBL18609944 0.82 PIK3CD (0.70) PIK3CDBRD4BRD2DPP4
SCHEMBL25664018 0.82 PIK3CD (0.70) PIK3CDNPC1RAB9AL3MBTL1BRD4
SCHEMBL18926693 0.80 PIK3CD (0.67) PIK3CDCOMTNPC1RAB9AL3MBTL1
SCHEMBL31477250 0.79 PIK3CD (0.66) PIK3CDBRD4BRD2
SCHEMBL3419405 0.78 PIK3CD (0.65) PIK3CDCOMTNPC1RAB9AL3MBTL1
SCHEMBL21959946 0.78 PIK3CD (0.65) PIK3CDCOMTNPC1RAB9AL3MBTL1
SCHEMBL1156274 0.77 PIK3CD (0.62) PIK3CDBRD4BRD2MEN1KMT2A
SCHEMBL19229725 0.76 PIK3CD (0.61) PIK3CDCOMTNPC1RAB9AL3MBTL1
SCHEMBL23328920 0.75 PIK3CD (0.60) PIK3CDBRD4BRD2KMT2ADPP4

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348369-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-11-02 — — US disclosed
US-20230348369-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-11-02 — — US disclosed
US-20230203015-A1 MAP KINASE KINASE (MKK7) INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-06-29 — — US disclosed
US-20230026466-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2023-01-26 — — US disclosed
US-20230012600-A1 BRIDGED CYCLOFORMYLPYRIDINE DERIVATIVES AND USES THEREOF BROADENBIO CO., LTD. (CN) 2023-01-19 — — US disclosed
EP-4105217-A1 3-((8-((1H-PYRAZOL-4-YL)AMINO)IMIDAZO[1,2-A]PYRIDIN-3-YL)ETHINYL)-N-PHENYLBENZAMIDE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF CANCER Daegu-Gyeongbuk Medical Innovation Foundation (KR) 2022-12-21 — — EP disclosed
WO-2021083011-A1 BRIDGED CYCLOFORMYLPYRIDINE DERIVATIVE AND USE THEREOF 北京伯汇生物技术有限公司 2021-05-06 — — WO disclosed
US-9988386-B2 Compounds for treatment of diseases of abnormal angiogenesis or aberrant growth factors and uses thereof Kata Pharmaceuticals, Inc. (US) 2018-06-05 — — US disclosed
US-20180037573-A1 UREA DERIVATIVES AND USES THEREOF KALA BIO, Inc. 2018-02-08 — — US disclosed
US-20180037572-A1 UREA DERIVATIVES AND USES THEREOF KALA BIO, Inc. 2018-02-08 — — US disclosed
US-20170129876-A1 UREA DERIVATIVES AND USES THEREOF KALA BIO, Inc. 2017-05-11 — — US disclosed
US-9630963-B2 Quinolone derivatives as fibroblast growth factor inhibitors PRINCIPIA BIOPHARMA, INC. (US) 2017-04-25 — — US disclosed
US-9630963-B2 Quinolone derivatives as fibroblast growth factor inhibitors PRINCIPIA BIOPHARMA, INC. (US) 2017-04-25 — — US disclosed
US-9580421-B2 Urea derivatives and uses thereof KALA PHARMACEUTICALS, INC. (US) 2017-02-28 — — US disclosed
US-20160137646-A1 Novel Compounds and Uses Thereof KALA PHARMACEUTICALS, INC. (US) 2016-05-19 — — US disclosed
US-20160130268-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR INHIBITORS PRINCIPIA BIOPHARMA INC. 2016-05-12 — — US disclosed
US-20160060264-A1 UREA DERIVATIVES AND USES THEREOF KALA BIO, Inc. 2016-03-03 — — US disclosed
US-9212145-B2 Urea derivatives and uses thereof KALA PHARMACEUTICALS, INC. (US) 2015-12-15 — — US disclosed
US-20150072986-A1 UREA DERIVATIVES AND USES THEREOF KALA BIO, Inc. 2015-03-12 — — US disclosed
WO-2014182829-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2014-11-13 — — 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 (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-20150072986-A1 UREA DERIVATIVES AND USES THEREOF UACA, RB1, FLT1 PIK3CD 1425/4885COMT 3384/4885NPC1 3661/4885
US-20160137646-A1 Novel Compounds and Uses Thereof RB1, VEGFA, UACA PIK3CD 516/4885COMT 2599/4885NPC1 2935/4885
US-20230026466-A1 WDR5 INHIBITORS AND MODULATORS WDR5, WDR1, WDR3 PIK3CD 1633/4885COMT 3253/4885NPC1 1407/4885
US-20230348369-A1 NAMPT MODULATORS NAMPT, NNT, NAPRT PIK3CD 3670/4885COMT 3584/4885NPC1 128/4885
US-20230203015-A1 MAP KINASE KINASE (MKK7) INHIBITORS AND USES THEREOF MAP2K7, MAP3K7, MAPK7 PIK3CD 2379/4885COMT 1021/4885NPC1 1722/4885
US-20180037572-A1 UREA DERIVATIVES AND USES THEREOF UACA, RB1, FLT1 PIK3CD 1425/4885COMT 3384/4885NPC1 3661/4885
US-20160130268-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR INHIBITORS FGFR1, FGFR3, FGFR2 PIK3CD 370/4885COMT 2762/4885NPC1 2860/4885
US-20180037573-A1 UREA DERIVATIVES AND USES THEREOF UACA, RB1, FLT1 PIK3CD 1425/4885COMT 3384/4885NPC1 3661/4885
US-20230012600-A1 BRIDGED CYCLOFORMYLPYRIDINE DERIVATIVES AND USES THEREOF FGFR4, FGFR1, FGFR3 PIK3CD 815/4885COMT 3480/4885NPC1 1946/4885
US-20170129876-A1 UREA DERIVATIVES AND USES THEREOF UACA, RB1, FLT1 PIK3CD 1425/4885COMT 3384/4885NPC1 3661/4885
US-20160060264-A1 UREA DERIVATIVES AND USES THEREOF UACA, RB1, FLT1 PIK3CD 1425/4885COMT 3384/4885NPC1 3661/4885

“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.

Send feedback