SCHEMBL6317646

SCHEMBL6317646

Cc1ccnc2[nH]c(CC#N)nc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.33
MAP4K1 Q92918 1/20 0.33
CYP17A1 P05093 1/20 0.33
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CCR1 P32246 1/20 0.32
CCR5 P51681 1/20 0.32
CCR8 P51685 1/20 0.32
PARP1 P09874 1/20 0.32
PARP14 Q460N5 1/20 0.32
PARP11 Q9NR21 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
NPC1 O15118 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ROCK2 O75116 1/20 0.31
ROCK1 Q13464 1/20 0.31
CDC42BPA Q5VT25 1/20 0.31

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
SCHEMBL4370028 0.80 ADORA1 (0.41) LRRK2CCR1CCR5CCR8PARP1
SCHEMBL3950341 0.79 GSK3B (0.38) LRRK2MAPTCCR1CCR5CCR8
SCHEMBL7832083 0.79 KDM4E (0.36) MEN1KMT2ACCR1CCR5CCR8
SCHEMBL28836229 0.79 CCR1 (0.34) CCR1CCR5CCR8PARP1PARP14
Hydrochloric Acid SCHEMBL28836198 0.78 CYP1A2 (0.35) CCR1CCR5CCR8PARP1PARP14
SCHEMBL4370037 0.78 NOS2 (0.41) CCR1CCR5CCR8PARP1PARP2
SCHEMBL8875881 0.75 GSK3B (0.44) PARP1CDK2ALDH1A1
SCHEMBL8214129 0.74 CCNB2 (0.40) KMT2APARP14
SCHEMBL6311538 0.73 MGAM (0.47) ALDH1A1
SCHEMBL1665498 0.72 PARP1 (0.42) CCR1CCR5CCR8PARP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050159464-A1 Isothiazole carboxylic acid amides and the application thereof in order to protect plants ASSMANN LUTZ (DE) 2005-07-21 US disclosed
CN-1633434-A Imidazo [1, 2-a ] pyridine derivatives DAIICHI SEIYAKU CO (JP) 2005-06-29 CN disclosed
US-20050113397-A1 Imidazo[1,2-a]pyridine derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-05-26 US disclosed
EP-1479681-A1 IMIDAZO(1,2-a)PYRIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-11-24 EP disclosed
US-6271226-B1 FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-08-07 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 (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-20050159464-A1 Isothiazole carboxylic acid amides and the application thereof in order to protect plants CAT, AADAC, CBR3 LRRK2 2169/4885MAP4K1 3632/4885CYP17A1 3663/4885
US-20050113397-A1 Imidazo[1,2-a]pyridine derivative MANBA, MAN2B1, ERG28 LRRK2 3378/4885MAP4K1 1321/4885CYP17A1 2052/4885

“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.