SCHEMBL299699

SCHEMBL299699

O=S(=O)(c1ccccc1)n1ccc2cc(I)cnc21

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.61
HTR6 P50406 11/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
PKM P14618 1/20 0.47
MET P08581 1/20 0.47
POLB P06746 1/20 0.43
RAPGEF4 Q8WZA2 1/20 0.42
CYP3A4 P08684 1/20 0.41
FGFR4 P22455 1/20 0.41
ENPP3 O14638 1/20 0.40
ENPP1 P22413 1/20 0.40

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
SCHEMBL28325512 0.86 L3MBTL1 (0.61) CYP2C19HTR6ALDH1A1TSHRHTT
SCHEMBL1960656 0.83 CYP2C19 (0.61) CYP2C19HTR6MEN1KMT2AALDH1A1
SCHEMBL18346376 0.83 CYP2C19 (0.61) CYP2C19HTR6MEN1KMT2AALDH1A1
SCHEMBL1962403 0.83 CYP2C19 (0.61) CYP2C19HTR6MEN1KMT2AALDH1A1
SCHEMBL1958833 0.83 CYP2C19 (0.61) CYP2C19HTR6MEN1KMT2AALDH1A1
SCHEMBL10142546 0.83 CYP2C19 (0.61) CYP2C19HTR6MEN1KMT2AALDH1A1
SCHEMBL1359397 0.83 CYP2C19 (0.61) CYP2C19HTR6MEN1KMT2AALDH1A1
SCHEMBL2928668 0.81 CYP2C19 (0.58) CYP2C19HTR6MEN1KMT2AALDH1A1
SCHEMBL19746194 0.81 CYP2C19 (0.58) CYP2C19HTR6MEN1KMT2AALDH1A1
SCHEMBL28798130 0.81 CYP2C19 (0.58) CYP2C19HTR6MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108368110-A The Compounds and methods for adjusted for kinases and its indication 普莱希科公司 2018-08-03 CN disclosed
CN-106220623-A Compounds and methods for and indication thereof for kinases regulation 普莱希科公司 2016-12-14 CN disclosed
CN-103180320-B 1H-pyrrolo [2,3-b ] pyridine derivatives MERCK PATENT GMBH (DE) 2015-10-07 CN disclosed
US-20120245174-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2012-09-27 US disclosed
US-20120245174-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2012-09-27 US disclosed
US-20120245174-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2012-09-27 US disclosed
US-8198273-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2012-06-12 US disclosed
US-8198273-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2012-06-12 US disclosed
US-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. 2012-05-17 US disclosed
US-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. 2012-05-17 US disclosed
US-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. 2012-05-17 US disclosed
EP-2427433-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS Plexxikon, Inc. (US) 2012-03-14 EP disclosed
WO-2010129570-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. (US) 2010-11-11 WO disclosed
WO-2010129570-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. (US) 2010-11-11 WO disclosed
WO-2010129567-A1 PYRROLO [2, 3. B] PYRIDINES WHICH INHIBIT RAF PROTEIN KINASE PLEXXIKON, INC. (US) 2010-11-11 WO disclosed
US-20100286142-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor PLEXXIKON, INC. 2010-11-11 US disclosed
US-20100286142-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor PLEXXIKON, INC. 2010-11-11 US disclosed
WO-2009032125-A1 2,3-SUBSTITUTED AZAINDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS SCHERING CORPORATION (US) 2009-03-12 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 (3 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-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS BRAF, RAF1, ARAF CYP2C19 2730/4885HTR6 3947/4885MEN1 2348/4885
US-20100286142-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor BRAF, ARAF, RAF1 CYP2C19 2678/4885HTR6 3085/4885MEN1 296/4885
US-20120245174-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR BRAF, ARAF, RAF1 CYP2C19 2678/4885HTR6 3085/4885MEN1 296/4885

“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.