SCHEMBL18779309

SCHEMBL18779309

Cc1cnc(CCl)nc1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.42
MAPT P10636 5/20 0.39
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 4/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
CKS1B P61024 1/20 0.38
SKP1 P63208 1/20 0.38
SKP2 Q13309 1/20 0.38
PDK1 Q15118 1/20 0.37
GPR84 Q9NQS5 2/20 0.37
ERBB2 P04626 1/20 0.37
TDP1 Q9NUW8 4/20 0.37
L3MBTL1 Q9Y468 4/20 0.37
HPGD P15428 4/20 0.37
HTT P42858 2/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL10271772 0.84 PDE10A (0.43) PDE10AMAPTKDM4EALDH1A1RAB9A
SCHEMBL18779312 0.83 PDE10A (0.42) PDE10AMAPTKDM4EALDH1A1RAB9A
SCHEMBL20067097 0.83 PDE10A (0.42) PDE10AMAPTKDM4EALDH1A1RAB9A
SCHEMBL18779327 0.80 PDE10A (0.40) PDE10AMAPTKDM4EALDH1A1RAB9A
SCHEMBL18779324 0.79 JAK2 (0.44) PDE10AMAPTKDM4EALDH1A1RAB9A
SCHEMBL18779335 0.78 PTGS2 (0.40) PDE10AMAPTKDM4EALDH1A1RAB9A
SCHEMBL2348873 0.77 KDM4E (0.52) PDE10AMAPTKDM4EALDH1A1RAB9A
SCHEMBL2611837 0.76 MAPT (0.57) PDE10AMAPTKDM4EALDH1A1RAB9A
SCHEMBL18779322 0.75 PDE10A (0.40) PDE10AMAPTKDM4EALDH1A1RAB9A
SCHEMBL17111980 0.75 NTRK1 (0.56) NTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180105518-A1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2018-04-19 US disclosed
US-9815846-B2 TrkA kinase inhibitors, compositions and methods thereof MERCK SHARP & DOHME CORP. (US) 2017-11-14 US disclosed
US-20170114071-A1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2017-04-27 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-20180105518-A1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF NGFR, NTRK2, NGF PDE10A 3444/4885MAPT 565/4885KDM4E 3919/4885
US-20170114071-A1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF NGFR, NGF, NTRK1 PDE10A 3267/4885MAPT 320/4885KDM4E 3594/4885

“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.