SCHEMBL770296

SCHEMBL770296

O=S(=O)(O)c1ccccc1Cc1ccc(Br)nc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.36
CYP11B1 P15538 3/20 0.33
MYC P01106 1/20 0.33
CYP11B2 P19099 2/20 0.33
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
GRM2 Q14416 1/20 0.32
POLB P06746 1/20 0.32
RECQL P46063 1/20 0.32
ESR2 Q92731 1/20 0.32
MMP2 P08253 2/20 0.32
MMP9 P14780 2/20 0.32
MMP8 P22894 2/20 0.32
MMP13 P45452 2/20 0.32
EDNRA P25101 1/20 0.32
TRPV6 Q9H1D0 1/20 0.31
PLCG1 P19174 1/20 0.31
KEAP1 Q14145 1/20 0.30

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
SCHEMBL770558 0.82 CYP11B1 (0.38) CYP11B1MYCCYP11B2POLBRECQL
SCHEMBL770390 0.82 NFE2L2 (0.43)
SCHEMBL769777 0.76 NAPRT (0.46) CYP11B1CYP11B2
SCHEMBL29740732 0.76 BCL2 (0.50) MYCMMP2MMP9MMP8MMP13
SCHEMBL7738158 0.76 BCL2 (0.50) MYCMMP2MMP9MMP8MMP13
SCHEMBL770295 0.75 PARP1 (0.40) PARP1CYP11B1CYP11B2CA12CA1
SCHEMBL14991455 0.75 MYC (0.47) MYCCA1CA2CA9MMP2
SCHEMBL31425768 0.75 MYC (0.47) MYCCA1CA2CA9MMP2
SCHEMBL31425767 0.75 MYC (0.47) MYCCA1CA2CA9MMP2
SCHEMBL16556192 0.73 CYP19A1 (0.41) CYP11B1MYCCYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9926274-B2 Process for producing substituted methylamine compound and triazine derivative NIPPON SODA CO., LTD. (JP) 2018-03-27 US disclosed
EP-2650283-B1 Process for producing substituted methylamine compound and triazine derivative NIPPON SODA CO (JP) 2017-06-07 EP disclosed
EP-2650282-B1 Process for producing substituted methylamine compound and triazine derivative NIPPON SODA CO (JP) 2017-06-07 EP disclosed
US-20150141653-A1 PROCESS FOR PRODUCING SUBSTITUTED METHYLAMINE COMPOUND AND TRIAZINE DERIVATIVE NIPPON SODA CO (JP) 2015-05-21 US disclosed
US-9000156-B2 Process for producing substituted methylamine compound and triazine derivative NIPPON SODA CO., LTD. (JP) 2015-04-07 US disclosed
US-20140323724-A1 PROCESS FOR PRODUCING SUBSTITUTED METHYLAMINE COMPOUND AND TRIAZINE DERIVATIVE NIPPON SODA CO (JP) 2014-10-30 US disclosed
EP-2141149-B1 PROCESS FOR PRODUCING SUBSTITUTED METHYLAMINE COMPOUND AND TRIAZINE DERIVATIVE NIPPON SODA CO (JP) 2014-10-29 EP disclosed
EP-2650282-A1 Process for producing substituted methylamine compound and triazine derivative NIPPON SODA CO., LTD. (JP) 2013-10-16 EP disclosed
EP-2650283-A1 Process for producing substituted methylamine compound and triazine derivative NIPPON SODA CO., LTD. (JP) 2013-10-16 EP disclosed
US-20120071656-A1 PROCESS FOR PRODUCING SUBSTITUTED METHYLAMINE COMPOUND AND TRIAZINE DERIVATIVE NIPPON SODA CO., LTD. (JP) 2012-03-22 US disclosed
US-20100121054-A1 PROCESS FOR PRODUCING SUBSTITUTED METHYLAMINE COMPOUND AND TRIAZINE DERIVATIVE NIPPON SODA CO., LTD. (JP) 2010-05-13 US disclosed
EP-2141149-A1 PROCESS FOR PRODUCING SUBSTITUTED METHYLAMINE COMPOUND AND TRIAZINE DERIVATIVE Nippon Soda Co., Ltd. (JP) 2010-01-06 EP 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 (4 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-20120071656-A1 PROCESS FOR PRODUCING SUBSTITUTED METHYLAMINE COMPOUND AND TRIAZINE DERIVATIVE INMT, BHMT2, HNMT PARP1 1970/4885CYP11B1 2437/4885MYC 705/4885
US-20140323724-A1 PROCESS FOR PRODUCING SUBSTITUTED METHYLAMINE COMPOUND AND TRIAZINE DERIVATIVE INMT, BHMT2, HNMT PARP1 1970/4885CYP11B1 2437/4885MYC 705/4885
US-20150141653-A1 PROCESS FOR PRODUCING SUBSTITUTED METHYLAMINE COMPOUND AND TRIAZINE DERIVATIVE INMT, BHMT2, HNMT PARP1 1970/4885CYP11B1 2437/4885MYC 705/4885
US-20100121054-A1 PROCESS FOR PRODUCING SUBSTITUTED METHYLAMINE COMPOUND AND TRIAZINE DERIVATIVE INMT, BHMT2, HNMT PARP1 2189/4885CYP11B1 1569/4885MYC 332/4885

“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.