SCHEMBL2028320

SCHEMBL2028320

CC(C)(C)OC(=O)c1cc(Oc2ccc(N)c(F)c2)ccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.43
RAF1 P04049 7/20 0.41
EPHX2 P34913 3/20 0.41
ABL1 P00519 3/20 0.41
GABRA1 P14867 2/20 0.40
GABRG2 P18507 2/20 0.40
GABRB3 P28472 2/20 0.40
GABRA5 P31644 2/20 0.40
GABRA3 P34903 2/20 0.40
GABRA2 P47869 2/20 0.40
GABRA4 P48169 2/20 0.40
GABRA6 Q16445 2/20 0.40
FPR2 P25090 2/20 0.39
SCN9A Q15858 2/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRB2 P47870 1/20 0.39
GABRE P78334 1/20 0.39
GABRG1 Q8N1C3 1/20 0.39

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
SCHEMBL12329785 0.89 NR4A1 (0.45) MAPK14RAF1EPHX2ABL1GABRA1
SCHEMBL4328868 0.86 P2RX3 (0.43) MAPK14RAF1EPHX2ABL1BRAF
SCHEMBL29834761 0.86 P2RX3 (0.43) MAPK14RAF1EPHX2ABL1BRAF
SCHEMBL4202008 0.85 RAF1 (0.44) MAPK14RAF1EPHX2ABL1GABRA1
SCHEMBL9979938 0.83 RAF1 (0.38) MAPK14RAF1EPHX2ABL1GABRA1
SCHEMBL29834741 0.83 PRKCZ (0.42) MAPK14RAF1EPHX2GABRA1GABRG2
SCHEMBL28407664 0.82 GRM5 (0.40) MAPK14RAF1EPHX2ABL1SCN9A
Methylamine SCHEMBL28986184 0.82 PYGL (0.41) MAPK14RAF1EPHX2ABL1BRAF
SCHEMBL29834753 0.82 ABL1 (0.46) MAPK14RAF1EPHX2ABL1BRAF
SCHEMBL400969 0.82 RAF1 (0.47) MAPK14RAF1EPHX2ABL1SCN9A

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-11078232-B2 Preparation and use of molecular site targeted and activated kinase inhibitor Yafei Shanghai Biology Medicine Science & Technology Co. Ltd. (CN) 2021-08-03 US disclosed
US-20200140485-A1 PREPARATION AND USE OF MOLECULAR SITE TARGETED AND ACTIVATED KINASE INHIBITOR Yafei Shanghai Biology Medicine Science & Technology Co. Ltd. (CN) 2020-05-07 US disclosed
US-20150175545-A1 Preparation Method of Fluoro-Substituted Deuterated Diphenylurea SUZHOU ZELGEN BIOPHARMACEUTICAL CO LTD (CN) 2015-06-25 US disclosed
EP-2073811-B1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYELOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS LLC (US) 2015-03-11 EP disclosed
US-8759531-B2 Preparation method of fluoro-substituted deuterated diphenylurea Suzhou Zelgen Biopharmaccceutical Co., Ltd. (CN) 2014-06-24 US disclosed
US-8586565-B2 Kinase inhibitors useful for the treatment of myleoproliferative diseases and other proliferative diseases DECIPHERA PHARMACEUTICALS, LLC (US) 2013-11-19 US disclosed
WO-2013036232-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF MYELOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2013-03-14 WO disclosed
US-20130060043-A1 PREPARATION METHOD OF FLUORO-SUBSTITUTED DEUTERATED DIPHENYLUREA SUZHOU ZELGEN BIOPHARMACEUTICAL CO., LTD (CN) 2013-03-07 US disclosed
CN-102803220-A Synthetic method of fluorine-containing deuterated diphenylurea SUZHOU ZELGEN BIOPHARMACEUTICAL CO LTD 2012-11-28 CN disclosed
US-20120225057-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF MYELOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2012-09-06 US disclosed
US-20110136760-A1 Kinase Inhibitors Useful for the Treatment of Myleoproliferative Diseases and other Proliferative Diseases DECIPHERA PHARMACEUTICALS, LLC 2011-06-09 US disclosed
US-7790756-B2 Kinase inhibitors useful for the treatment of myleoproliferative diseases and other proliferative diseases DECIPHERA PHARMACEUTICALS, LLC (US) 2010-09-07 US disclosed
EP-2073811-A2 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES Deciphera Pharmaceuticals, LLC. (US) 2009-07-01 EP disclosed
WO-2008046003-A2 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2008-04-17 WO disclosed
US-20080090856-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2008-04-17 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 (7 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-20120225057-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF MYELOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES ABL1, MCL1, ABL2 MAPK14 323/4885RAF1 23/4885EPHX2 2736/4885
US-20080090856-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES MYLK3, MYLK, CDK3 MAPK14 354/4885RAF1 176/4885EPHX2 3383/4885
US-20130060043-A1 PREPARATION METHOD OF FLUORO-SUBSTITUTED DEUTERATED DIPHENYLUREA CCND3, UBE2D3, VDR MAPK14 3540/4885RAF1 3715/4885EPHX2 1884/4885
US-20110136760-A1 Kinase Inhibitors Useful for the Treatment of Myleoproliferative Diseases and other Proliferative Diseases MYLK3, MYLK, CDK3 MAPK14 354/4885RAF1 176/4885EPHX2 3383/4885
US-11078232-B2 Preparation and use of molecular site targeted and activated kinase inhibitor ACP1, PACSIN2, PKN2 MAPK14 23/4885RAF1 127/4885EPHX2 3917/4885
US-20200140485-A1 PREPARATION AND USE OF MOLECULAR SITE TARGETED AND ACTIVATED KINASE INHIBITOR ACP1, PACSIN2, PKN2 MAPK14 23/4885RAF1 122/4885EPHX2 3843/4885
US-20150175545-A1 Preparation Method of Fluoro-Substituted Deuterated Diphenylurea CCND3, UBE2D3, VDR MAPK14 3540/4885RAF1 3715/4885EPHX2 1884/4885

“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.