SCHEMBL2574384

SCHEMBL2574384

Ic1n[nH]c2ccc(OCc3ccccc3)cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 2/20 0.55
NTRK1 P04629 2/20 0.51
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
TRPM8 Q7Z2W7 3/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
CTSV O60911 3/20 0.48
CTSL P07711 3/20 0.48
NSD2 O96028 1/20 0.48
AS3MT Q9HBK9 1/20 0.48
LTA4H P09960 1/20 0.48
PLA2G2A P14555 1/20 0.48
IP6K1 Q92551 1/20 0.48
ALOX5 P09917 1/20 0.47
NTRK3 Q16288 1/20 0.46
NTRK2 Q16620 1/20 0.46
HTR1D P28221 1/20 0.46
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46

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
SCHEMBL18441099 0.84 CDK7 (0.49) TTKNTRK1
SCHEMBL627903 0.84 TTK (0.59) TTKNTRK1MAOAMAOBTRPM8
SCHEMBL17982284 0.83 TTK (0.55) TTKNTRK1MAOAMAOBTRPM8
SCHEMBL5386440 0.83 TTK (0.72) TTKNTRK1MAOAMAOBTRPM8
SCHEMBL25278552 0.80 NTRK1 (0.55) TTKNTRK1MAOAMAOBTRPM8
SCHEMBL492695 0.80 HAO1 (0.60) TTKNTRK1MAOAMAOBKDM4E
SCHEMBL5953065 0.79 TTK (0.62) TTKKDM4EMAPT
SCHEMBL5988823 0.78 TTK (0.51) TTKNTRK1MAOAMAOBKDM4E
SCHEMBL16874266 0.78 BRD4 (0.44) MAOBKDM4EMAPTCTSVCTSL
SCHEMBL3932154 0.78 NTRK1 (0.61) TTKNTRK1IP6K1NTRK3NTRK2

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
EP-2867225-B1 PYRROLIDINE DERIVATIVES AND THEIR USE AS COMPLEMENT PATHWAY MODULATORS NOVARTIS AG (CH) 2017-08-09 EP disclosed
EP-2867224-B1 PYRROLIDINE DERIVATIVES AND THEIR USE AS COMPLEMENT PATHWAY MODULATORS NOVARTIS AG (CH) 2017-07-26 EP disclosed
US-9468661-B2 Pyrrolidine derivatives and their use as complement pathway modulators NOVARTIS AG (CH) 2016-10-18 US disclosed
US-9388199-B2 Pyrrolidine derivatives and their use as complement pathway modulators NOVARTIS AG (CH) 2016-07-12 US disclosed
US-20150190457-A1 PYRROLIDINE DERIVATIVES AND THEIR USE AS COMPLEMENT PATHWAY MODULATORS NOVARTIS AG (CH) 2015-07-09 US disclosed
US-20150166578-A1 PYRROLIDINE DERIVATIVES AND THEIR USE AS COMPLEMENT PATHWAY MODULATORS NOVARTIS AG (CH) 2015-06-18 US disclosed
WO-2011123937-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2011-10-13 WO disclosed
WO-2011123937-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2011-10-13 WO disclosed
EP-1732938-B1 ORGANOPHOSPHOROUS INDAZOLE DERIVATIVES AND USE THEREOF AS PROTEIN KINASE INHIBITORS AVENTIS PHARMA SA (FR) 2009-05-06 EP disclosed
EP-1732938-B1 ORGANOPHOSPHOROUS INDAZOLE DERIVATIVES AND USE THEREOF AS PROTEIN KINASE INHIBITORS AVENTIS PHARMA SA (FR) 2009-05-06 EP disclosed
US-7491710-B2 Organophosphorus derivatives of indazoles and use thereof as medicinal products AVENTIS PHARMA S.A. (FR) 2009-02-17 US disclosed
US-7491710-B2 Organophosphorus derivatives of indazoles and use thereof as medicinal products AVENTIS PHARMA S.A. (FR) 2009-02-17 US disclosed
US-7491710-B2 Organophosphorus derivatives of indazoles and use thereof as medicinal products AVENTIS PHARMA S.A. (FR) 2009-02-17 US disclosed
CN-1894264-A Organophosphorous indazole derivatives and use thereof as protein kinase inhibitors AVENTIS PHARMA SA (FR) 2007-01-10 CN disclosed
US-20050137171-A1 Novel organophosphorus derivatives of indazoles and use thereof as medicinal products AVENTIS PHARMA S.A. (FR) 2005-06-23 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-20150190457-A1 PYRROLIDINE DERIVATIVES AND THEIR USE AS COMPLEMENT PATHWAY MODULATORS C5, C9, TFPI TTK 3885/4885NTRK1 3410/4885MAOA 1001/4885
US-20150166578-A1 PYRROLIDINE DERIVATIVES AND THEIR USE AS COMPLEMENT PATHWAY MODULATORS C5, C9, TFPI TTK 3935/4885NTRK1 3426/4885MAOA 962/4885
US-20050137171-A1 Novel organophosphorus derivatives of indazoles and use thereof as medicinal products PPIP5K2, INPPL1, IP6K3 TTK 3322/4885NTRK1 1855/4885MAOA 3098/4885

“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.