SCHEMBL16363369

SCHEMBL16363369

Cc1cccc(-n2ccnc2Nc2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 18/20 0.50
▸ BCR P11274 17/20 0.50
▸ HCK P08631 2/20 0.47
▸ BTK Q06187 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ MAPK1 P28482 1/20 0.44

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
SCHEMBL13821443 0.88 ABL1 (0.50) ABL1BCRHCKBTKKDM4E
SCHEMBL3395506 0.79 ABL1 (0.67) ABL1BCRHCKBTK
SCHEMBL16371571 0.76 GSK3B (0.41) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL17487030 0.75 ABL1 (0.76) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL20925396 0.74 ABL1 (0.55) ABL1BCRHCKBTK
SCHEMBL16609188 0.74 ABL1 (0.60) ABL1BCRHCKBTK
SCHEMBL13820441 0.71 HCK (0.51) ABL1BCRHCKBTK
SCHEMBL26429094 0.70 ABL1 (0.60) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL3427503 0.69 HCK (0.49) ABL1BCRHCKBTKKDM4E
SCHEMBL3399556 0.69 ABL1 (0.78) ABL1BCRKDM4EMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11254682-B2 Small molecule myristate inhibitors of Bcr-abl and methods of use THE SCRIPPS RESEARCH INSTITUTE (US) 2022-02-22 — — US 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-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-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
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 ABL1 2/4885BCR 1/4885HCK 1047/4885
US-20150094275-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE BCR, ABL1, MCL1 ABL1 2/4885BCR 1/4885HCK 350/4885
US-20200347068-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE BCR, ABL1, MCL1 ABL1 2/4885BCR 1/4885HCK 1047/4885
US-20110312908-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE BCR, ABL1, MCL1 ABL1 2/4885BCR 1/4885HCK 596/4885
US-20170349595-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND ABL AND METHODS OF USE BCR, ABL1, ABL2 ABL1 2/4885BCR 1/4885HCK 635/4885

“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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