SCHEMBL13820258

SCHEMBL13820258

OC[C@H]1OC(n2cnc3c(Nc4ccc(OC(F)(F)F)cc4)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 2/20 0.78
▸ SLC29A1 Q99808 3/20 0.73
▸ LMNA P02545 2/20 0.73
▸ ALDH1A1 P00352 1/20 0.73
▸ GLA P06280 1/20 0.73
▸ PMP22 Q01453 1/20 0.73
▸ SMN1; SMN2 Q16637 1/20 0.73
▸ NPC1 O15118 1/20 0.73
▸ NPY1R P25929 1/20 0.73
▸ HTT P42858 1/20 0.73
▸ NPY2R P49146 1/20 0.73
▸ RAB9A P51151 1/20 0.73
▸ RXFP1 Q9HBX9 1/20 0.73
▸ CYP1A2 P05177 1/20 0.73
▸ TSHR P16473 1/20 0.73
▸ NFKB1 P19838 1/20 0.73
▸ MAPK1 P28482 1/20 0.73
▸ CYP2C19 P33261 1/20 0.73
▸ THPO P40225 1/20 0.73
▸ ADORA3 P0DMS8 1/20 0.65

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
SCHEMBL16609165 1.00 ADORA1 (0.78) ADORA1SLC29A1LMNAALDH1A1GLA
SCHEMBL3395259 1.00 ADORA1 (0.78) ADORA1SLC29A1LMNAALDH1A1GLA
SCHEMBL24390241 1.00 ADORA1 (0.78) ADORA1SLC29A1LMNAALDH1A1GLA
SCHEMBL28593310 0.88 ADORA1 (1.00) ADORA1SLC29A1LMNAALDH1A1GLA
SCHEMBL20626400 0.88 SLC29A1 (0.74) ADORA1SLC29A1ADORA3ADORA2A
SCHEMBL19583087 0.88 SLC29A1 (0.74) ADORA1SLC29A1ADORA3ADORA2A
SCHEMBL17825976 0.88 SLC29A1 (0.74) ADORA1SLC29A1ADORA3ADORA2A
SCHEMBL20626401 0.88 SLC29A1 (0.74) ADORA1SLC29A1ADORA3ADORA2A
SCHEMBL640373 0.88 SLC29A1 (0.74) ADORA1SLC29A1ADORA3ADORA2A
SCHEMBL640372 0.88 SLC29A1 (0.74) ADORA1SLC29A1ADORA3ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220135573-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-05-05 — — US disclosed
US-11254682-B2 Small molecule myristate inhibitors of Bcr-abl and methods of use THE SCRIPPS RESEARCH INSTITUTE (US) 2022-02-22 — — US disclosed
EP-3912973-A2 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE Dana-Farber Cancer Institute, Inc. (US) 2021-11-24 — — EP disclosed
EP-3536687-B1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE DANA FARBER CANCER INST INC (US) 2021-07-14 — — EP disclosed
US-20200347068-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-11-05 — — US disclosed
US-10787455-B2 Small molecule myristate inhibitors of BCR-ABL and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-09-29 — — US disclosed
EP-3536687-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE Dana Farber Cancer Institute, Inc. (US) 2019-09-11 — — EP disclosed
US-20190084990-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-03-21 — — US disclosed
US-20170349595-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND ABL AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-12-07 — — US disclosed
US-9670214-B2 Small molecule myristate inhibitors of Bcr-abl and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-06-06 — — US disclosed
EP-3150593-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE Dana Farber Cancer Institute, Inc. (US) 2017-04-05 — — EP disclosed
US-20150094275-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE THE SCRIPPS RESEARCH INSTITUTE (US) 2015-04-02 — — US disclosed
US-8921336-B2 Small molecule myristate inhibitors of BCR-ABL and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2014-12-30 — — US disclosed
US-20110312908-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE THE SCRIPPS RESEARCH INSTITUTE 2011-12-22 — — US disclosed
WO-2009073153-A2 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE DANA FARBER CANCER INSTITUTE (US) 2009-06-11 — — 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 (8 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-11254682-B2 Small molecule myristate inhibitors of Bcr-abl and methods of use BCR, ABL1, MCL1 ADORA1 4855/4885SLC29A1 4421/4885LMNA 4176/4885
US-20150094275-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE BCR, ABL1, MCL1 ADORA1 4792/4885SLC29A1 3657/4885LMNA 3806/4885
US-20190084990-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE BCR, ABL1, MCL1 ADORA1 4804/4885SLC29A1 3315/4885LMNA 3713/4885
US-20220135573-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE BCR, ABL1, MCL1 ADORA1 4847/4885SLC29A1 4377/4885LMNA 4069/4885
US-20200347068-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE BCR, ABL1, MCL1 ADORA1 4855/4885SLC29A1 4421/4885LMNA 4176/4885
US-20110312908-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE BCR, ABL1, MCL1 ADORA1 4837/4885SLC29A1 4321/4885LMNA 3841/4885
US-10787455-B2 Small molecule myristate inhibitors of BCR-ABL and methods of use BCR, ABL1, MCL1 ADORA1 4804/4885SLC29A1 3315/4885LMNA 3713/4885
US-20170349595-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND ABL AND METHODS OF USE BCR, ABL1, ABL2 ADORA1 4769/4885SLC29A1 3185/4885LMNA 4077/4885

“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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