SCHEMBL520214

SCHEMBL520214

O=S1(=O)CCN(Cc2ccc(Br)cn2)CC1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2C19 P33261 1/20 0.59
MEN1 O00255 1/20 0.44
NPC1 O15118 2/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 1/20 0.41
GRM2 Q14416 1/20 0.39
PDE2A O00408 1/20 0.38
HRH3 Q9Y5N1 4/20 0.38
TSHR P16473 1/20 0.35
TEAD1 P28347 1/20 0.34
LTA4H P09960 1/20 0.34

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
SCHEMBL1881035 0.82 HRH3 (0.53) CYP1A2KDM4EGRM2PDE2AHRH3
SCHEMBL2933048 0.81 KDM4E (0.45) LMNAKDM4ERAB9AALDH1A1GRM2
SCHEMBL1873045 0.80 HRH3 (0.55) CYP1A2KDM4EGRM2PDE2AHRH3
SCHEMBL110617 0.78 HRH3 (0.53) KMT2AMEN1NPC1ALDH1A1HRH3
SCHEMBL5254916 0.78 CYP1A2 (0.45) KMT2ACYP1A2CYP2C19ALDH1A1GRM2
SCHEMBL3065752 0.78 CXCR4 (0.45) KMT2AMEN1LMNAALDH1A1GRM2
SCHEMBL10112329 0.78 KDM4E (0.57) NPC1KDM4ERAB9AALDH1A1GRM2
SCHEMBL31469718 0.76 TEAD1 (0.48) GRM2PDE2AHRH3TSHRTEAD1
SCHEMBL20788396 0.76 ALDH1A1 (0.45) KMT2ALMNAKDM4EALDH1A1HRH3
SCHEMBL3265105 0.76 KMT2A (0.49) KMT2ACYP1A2CYP2C19MEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376491-B1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON INC (US) 2015-03-04 EP disclosed
EP-2634176-A1 PYRIDINE DERIVATIVE AND MEDICINAL AGENT Nippon Shinyaku Co., Ltd. (JP) 2013-09-04 EP disclosed
US-20130225548-A1 Pyridine Derivative and Medicinal Agent NIPPON SHINYAKU CO., LTD. (JP) 2013-08-29 US disclosed
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 US disclosed
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-02-02 US disclosed
EP-2376491-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2011-10-19 EP disclosed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 WO disclosed
WO-2010010184-A1 [1, 2, 4] TRIAZOLO [1, 5-A] PYRIDINES AS JAK INHIBITORS GALAPAGOS NV (BE) 2010-01-28 WO disclosed
WO-2010010184-A1 [1, 2, 4] TRIAZOLO [1, 5-A] PYRIDINES AS JAK INHIBITORS GALAPAGOS NV (BE) 2010-01-28 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-20130225548-A1 Pyridine Derivative and Medicinal Agent NR0B2, NR0B1, CNKSR1 KMT2A 2197/4885CYP1A2 137/4885CYP2C19 1257/4885
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 KMT2A 114/4885CYP1A2 1812/4885CYP2C19 2405/4885

“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.