SCHEMBL2801822

SCHEMBL2801822

COc1ccc(CNc2nc(Cl)nc(Cl)n2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.66
MAPT P10636 5/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
CLK1 P49759 1/20 0.55
CLK2 P49760 1/20 0.55
DYRK1A Q13627 1/20 0.55
CLK4 Q9HAZ1 1/20 0.55
DYRK1B Q9Y463 1/20 0.55
CCNE2 O96020 1/20 0.54
CCNE1 P24864 1/20 0.54
CDK2 P24941 1/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
APP P05067 1/20 0.54
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52

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
SCHEMBL5888965 0.97 PIK3CA (0.62) PIK3CAMAPTSMN1; SMN2CLK1CLK2
SCHEMBL28736417 0.91 PIK3CA (0.57) PIK3CAMAPTSMN1; SMN2CLK1CLK2
SCHEMBL163906 0.91 PIK3CA (0.75) PIK3CAMAPTSMN1; SMN2CLK1CLK2
SCHEMBL7168459 0.87 CCNE2 (0.57) PIK3CAMAPTSMN1; SMN2CLK1CLK2
SCHEMBL6335176 0.85 CA1 (0.57) PIK3CAMAPTSMN1; SMN2CA12CA1
SCHEMBL10055023 0.85 CA9 (0.68) PIK3CACA12CA1CA2CA9
SCHEMBL7169729 0.85 MAPT (0.54) PIK3CAMAPTSMN1; SMN2CLK1CLK2
SCHEMBL27284393 0.84 CLK4 (0.56) PIK3CASMN1; SMN2CLK1CLK2DYRK1A
SCHEMBL23990593 0.83 NPC1 (0.51) PIK3CAMAPTCLK1CLK2DYRK1A
SCHEMBL15619030 0.82 CCNE2 (0.68) PIK3CAMAPTCLK1CLK2DYRK1A

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-108191774-B Heterocyclic compound, preparation method and application thereof 中国药科大学 2022-05-24 CN disclosed
WO-2020146779-A1 mTORC1 INHIBITORS FOR ACTIVATING AUTOPHAGY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-07-16 WO disclosed
WO-2018175958-A1 THIOREDOXIN MODULATORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-09-27 WO disclosed
US-20100239500-A1 SUBSTITUTED TRIAZINE COMPOUNDS FOR NERVE REGENERATION UNIVERSITY OF MIAMI 2010-09-23 US disclosed
US-7718655-B2 Trisubstituted triazine compounds, and methods for making and using the compounds, which have antitubulin activity NEW YORK UNIVERSITY (US) 2010-05-18 US disclosed
US-7718655-B2 Trisubstituted triazine compounds, and methods for making and using the compounds, which have antitubulin activity NEW YORK UNIVERSITY (US) 2010-05-18 US disclosed
US-7718655-B2 Trisubstituted triazine compounds, and methods for making and using the compounds, which have antitubulin activity NEW YORK UNIVERSITY (US) 2010-05-18 US disclosed
US-7115737-B2 Solid phase synthesis of novel biaryl triazine library by suzuki cross coupling NEW YORK UNIVERSITY (US) 2006-10-03 US disclosed
EP-1441683-A4 TRISUBSTITUTED TRIAZINE COMPOUNDS, AND METHODS FOR MAKING AN USING THE COMPOUNDS, WHICH HAVE ANTITUBULIN ACTIVITY UNIV NEW YORK (US) 2005-10-26 EP disclosed
WO-2004099163-A1 SOLID PHASE SYNTHESIS OF BIARYL TRIAZINE LIBRARY BY SUZUKI CROSS-COUPLING REACTION NEW YORK UNIVERSITY (US) 2004-11-18 WO disclosed
US-20040225125-A1 Solid phase synthesis of novel biaryl triazine library by suzuki cross coupling NEW YORK UNIVERSITY (US) 2004-11-11 US disclosed
EP-1441683-A2 TRISUBSTITUTED TRIAZINE COMPOUNDS, AND METHODS FOR MAKING AN USING THE COMPOUNDS, WHICH HAVE ANTITUBULIN ACTIVITY NEW YORK UNIVERSITY (US) 2004-08-04 EP disclosed
US-20040122009-A1 Trisubstituted triazine compounds, and methods for making and using the compounds, which have antitubulin activity NEW YORK UNIVERSITY (US) 2004-06-24 US disclosed
US-6573377-B1 Antitumor agent capable of showing its efficacy even against 5- FU drug resistant tumors DAIICHI PHARMACEUTICALS CO., LTD. (JP) 2003-06-03 US disclosed
WO-2003032903-A2 TRISUBSTITUTED TRIAZINES COMPOUNDS WITH ANTITUBULIN ACTIVITY NEW YORK UNIVERSITY (US) 2003-04-24 WO disclosed
US-6552018-B1 As antitumor agents DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-22 US disclosed
EP-1103551-A1 PYRAZOLE DERIVATIVES AND SALTS THEREOF DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-05-30 EP disclosed
US-6169086-B1 AN ANTITUMOR AGENT FOR TREATING TUMOR RESISTANT TO 5-FLUOROURACIL TYPE DRUGS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-01-02 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 (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-20040122009-A1 Trisubstituted triazine compounds, and methods for making and using the compounds, which have antitubulin activity TUBA1C, TUBB1, TUBB PIK3CA 4651/4885MAPT 36/4885SMN1; SMN2 4365/4885
US-20040225125-A1 Solid phase synthesis of novel biaryl triazine library by suzuki cross coupling BOLA2; BOLA2B, BRDT, SBDS PIK3CA 4110/4885MAPT 3155/4885SMN1; SMN2 3731/4885
US-20100239500-A1 SUBSTITUTED TRIAZINE COMPOUNDS FOR NERVE REGENERATION GAP43, NTRK2, NGF PIK3CA 3259/4885MAPT 336/4885SMN1; SMN2 9/4885

“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.