SCHEMBL1131646

SCHEMBL1131646

CN(C)/C=N/S(=O)(=O)c1c(OCC(F)(F)F)cccc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 9/20 0.38
▸ HTR6 P50406 9/20 0.38
▸ POLB P06746 1/20 0.36
▸ LMNA P02545 3/20 0.36
▸ GAA P10253 1/20 0.36
▸ HTR2C P28335 3/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ RECQL P46063 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ MEN1 O00255 1/20 0.33

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
SCHEMBL1131648 1.00 HTR2A (0.38) HTR2AHTR6POLBLMNAGAA
SCHEMBL1131175 0.83 ALDH1A1 (0.48) HTR2AHTR6POLBLMNAGAA
SCHEMBL1131174 0.83 ALDH1A1 (0.48) HTR2AHTR6POLBLMNAGAA
SCHEMBL13083251 0.81 LMNA (0.39) POLBLMNAGAASMN1; SMN2CYP3A4
SCHEMBL1131679 0.78 RECQL (0.42) POLBNPC1RAB9ARECQLALDH1A1
SCHEMBL1131052 0.75 GAA (0.43) HTR2AHTR6LMNAGAAHTR2C
SCHEMBL1131049 0.75 GAA (0.43) HTR2AHTR6LMNAGAAHTR2C
SCHEMBL4185071 0.71 RAB9A (0.66) POLBLMNANPC1RAB9ARECQL
SCHEMBL31194220 0.71 RAB9A (0.66) POLBLMNANPC1RAB9ARECQL
SCHEMBL28504880 0.70 NPC1 (0.47) POLBLMNANPC1RAB9ARECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2266977-B1 2,4-di[(hetero)arylamino]-pyrimidine derivatives as zap-70 and/or syk inhibitors NOVARTIS AG (CH) 2014-05-14 — — EP disclosed
EP-2266977-B1 2,4-di[(hetero)arylamino]-pyrimidine derivatives as zap-70 and/or syk inhibitors NOVARTIS AG (CH) 2014-05-14 — — EP disclosed
US-8283356-B2 2,4- Di(hetero)-arylamino-pyrimidine derivatives as ZAP-70 and/or SYK inhibitors NOVARTIS AG (CH) 2012-10-09 — — US disclosed
US-8283356-B2 2,4- Di(hetero)-arylamino-pyrimidine derivatives as ZAP-70 and/or SYK inhibitors NOVARTIS AG (CH) 2012-10-09 — — US disclosed
EP-1664035-B1 2,4 DI(HETERO)-ARYLAMINO-PYRIMIDINE DERIVATIVES AS ZAP-70 AND/OR SYK INHIBITORS NOVARTIS AG (CH) 2011-02-16 — — EP disclosed
EP-2266977-A1 2,4-di[(hetero)arylamino]-pyrimidine derivatives as zap-70 and/or syk inhibitors Novartis AG (CH) 2010-12-29 — — EP disclosed
US-20100152182-A1 2,4- Di(hetero)-arylamino-pyrimidine Derivatives as ZAP-70 and/or SYK inhibitors NOVARTIS AG (CH) 2010-06-17 — — US disclosed
US-20100152182-A1 2,4- Di(hetero)-arylamino-pyrimidine Derivatives as ZAP-70 and/or SYK inhibitors NOVARTIS AG (CH) 2010-06-17 — — US disclosed
US-7671063-B2 2,4 Di (hetero) -arylamino-pyrimidine derivatives as ZAP-70 and/or syk inhibitors NOVARTIS AG (CH) 2010-03-02 — — US disclosed
US-7671063-B2 2,4 Di (hetero) -arylamino-pyrimidine derivatives as ZAP-70 and/or syk inhibitors NOVARTIS AG (CH) 2010-03-02 — — US disclosed
US-20060247262-A1 2,4 Di (hetero) -arylamino-pyrimidine derivatives as ZAP-70 and/or syk inhibitors NOVARTIS AG (CH) 2006-11-02 — — US disclosed
EP-1664035-A1 2,4 DI (HETERO) -ARYLAMINO-PYRIMIDINE DERIVATIVES AS ZAP-70 AND/OR SYK INHIBITORS Novartis AG (CH) 2006-06-07 — — EP disclosed
WO-2005026158-A1 2,4 DI (HETERO) -ARYLAMINO-PYRIMIDINE DERIVATIVES AS ZAP-70 AND/OR SYK INHIBITORS NOVARTIS AG (CH) 2005-03-24 — — 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 (2 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-20100152182-A1 2,4- Di(hetero)-arylamino-pyrimidine Derivatives as ZAP-70 and/or SYK inhibitors ZAP70, SYK, BTK HTR2A 1577/4885HTR6 1928/4885POLB 1284/4885
US-20060247262-A1 2,4 Di (hetero) -arylamino-pyrimidine derivatives as ZAP-70 and/or syk inhibitors ZAP70, SYK, BTK HTR2A 1913/4885HTR6 2195/4885POLB 1120/4885

“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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