SCHEMBL3367671

SCHEMBL3367671

Nc1cc(Br)cnc1NCC1CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.41
PRKCQ Q04759 8/20 0.41
PDE10A Q9Y233 4/20 0.39
ADORA2A P29274 1/20 0.39
USP7 Q93009 1/20 0.36
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
CHUK O15111 1/20 0.35
FFAR2 O15552 1/20 0.34
LDHA P00338 1/20 0.34
LDHB P07195 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
SCHEMBL3997197 0.90 CSF1R (0.43) PRKCQ
SCHEMBL16913971 0.82 TDO2 (0.45) PTGER4PRKCQPDE10AADORA2AUSP7
SCHEMBL14905700 0.77 PTGER4 (0.48) PTGER4PRKCQPDE10AADORA2AIDO1
SCHEMBL15649492 0.76 KMT2A (0.39) PDE10AIDO1HTTKMT2A
SCHEMBL6645006 0.76 LDHA (0.49) PTGER4PDE10AFFAR2LDHALDHB
SCHEMBL18172298 0.76 JAK3 (0.38) PRKCQPDE10AADORA2A
SCHEMBL3368189 0.75 PRKCQ (0.49) PRKCQ
SCHEMBL6644250 0.75 PRKCQ (0.46) PRKCQ
SCHEMBL7885980 0.73 MAPT (0.45) PRKCQHTTKMT2A
SCHEMBL5881730 0.73 PTGER4 (0.48) PTGER4PRKCQPDE10AUSP7KMT2A

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105916503-B Heteroaryl compounds and uses thereof 米伦纽姆医药公司 2020-04-14 CN disclosed
US-10538533-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2020-01-21 US disclosed
US-10538533-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2020-01-21 US disclosed
US-20180118762-A1 HETEROARYLS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-03 US disclosed
US-20180118762-A1 HETEROARYLS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-03 US disclosed
US-20180118762-A1 HETEROARYLS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-03 US disclosed
US-9802960-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-10-31 US disclosed
US-9802960-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-10-31 US disclosed
US-9802960-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-10-31 US disclosed
US-9751854-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-09-05 US disclosed
US-20170073326-A1 HETEROARYLS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-16 US disclosed
EP-3094325-A1 HETEROARYLS AND USES THEREOF Millennium Pharmaceuticals, Inc. (US) 2016-11-23 EP disclosed
US-20150225422-A1 HETEROARYLS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-08-13 US disclosed
US-20150225422-A1 HETEROARYLS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-08-13 US disclosed
US-20150225422-A1 HETEROARYLS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-08-13 US disclosed
WO-2015108861-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-23 WO disclosed
WO-2015108861-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-23 WO disclosed
EP-1994011-B1 SULFONYL BENZIMIDAZOLE DERIVATIVES RAQUALIA PHARMA INC (JP) 2010-10-13 EP disclosed
US-7700618-B2 Sulfonyl benzimidazole derivatives PFIZER INC (US) 2010-04-20 US disclosed
US-20090137584-A1 SULFONYL BENZIMIDAZOLE DERIVATIVES RAQUALIA PHARMA INC. (JP) 2009-05-28 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 (5 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-20090137584-A1 SULFONYL BENZIMIDAZOLE DERIVATIVES TRPV1, CNR2, CNR1 PTGER4 583/4885PRKCQ 1487/4885PDE10A 2789/4885
US-20180118762-A1 HETEROARYLS AND USES THEREOF VPS35, VPS4B, VPS26B PTGER4 2289/4885PRKCQ 2271/4885PDE10A 4649/4885
US-10538533-B2 Heteroaryls and uses thereof VPS35, VPS4B, VPS26B PTGER4 2289/4885PRKCQ 2271/4885PDE10A 4649/4885
US-20150225422-A1 HETEROARYLS AND USES THEREOF VPS35, VPS4B, VPS26B PTGER4 2289/4885PRKCQ 2271/4885PDE10A 4649/4885
US-20170073326-A1 HETEROARYLS AND USES THEREOF VPS35, VPS4B, VPS26B PTGER4 2289/4885PRKCQ 2271/4885PDE10A 4649/4885

“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.