SCHEMBL7067713

SCHEMBL7067713

Cc1cc(N2CC[C@@H](N(C)C)C2)n2nc(-c3ccc(Cl)cc3)cc2n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.63
BTK Q06187 2/20 0.63
MRGPRX2 Q96LB1 2/20 0.63
MAPK10 P53779 1/20 0.63
KDM4E B2RXH2 7/20 0.58
HPGD P15428 6/20 0.58
ALDH1A1 P00352 4/20 0.58
HTT P42858 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
NPC1 O15118 3/20 0.53
RAB9A P51151 2/20 0.53
HTR1D P28221 2/20 0.51
HTR3A P46098 2/20 0.51
HTR6 P50406 2/20 0.51
TMEM97 Q5BJF2 2/20 0.51
HTR1A P08908 1/20 0.51
DRD2 P14416 1/20 0.51
HTR1B P28222 1/20 0.51
SLC6A3 Q01959 1/20 0.51

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
SCHEMBL7061175 1.00 MAPK8 (0.63) MAPK8BTKMRGPRX2MAPK10KDM4E
SCHEMBL7061171 1.00 MAPK8 (0.63) MAPK8BTKMRGPRX2MAPK10KDM4E
SCHEMBL7269309 0.85 KDM4E (0.63) MAPK8BTKMRGPRX2MAPK10KDM4E
SCHEMBL7066040 0.85 KDM4E (0.63) MAPK8BTKMRGPRX2MAPK10KDM4E
SCHEMBL7061181 0.81 NPC1 (0.64) KDM4EHPGDALDH1A1HTTSMN1; SMN2
SCHEMBL7066787 0.79 NPC1 (0.63) KDM4EHPGDALDH1A1HTTSMN1; SMN2
SCHEMBL21775874 0.78 KDM4E (0.78) KDM4EHPGDALDH1A1HTTSMN1; SMN2
SCHEMBL7065621 0.75 KDM4E (0.56) KDM4EHPGDALDH1A1HTTSMN1; SMN2
SCHEMBL7063816 0.74 KDM4E (0.57) KDM4EHPGDALDH1A1HTTSMN1; SMN2
SCHEMBL7062668 0.70 HPGD (0.65) KDM4EHPGDALDH1A1HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6649759-B2 Pyrazolo(1,5-a)pyrimidine derivatives; treating feeding, cardiovascular and psychological disorders PFIZER INC. 2003-11-18 US claimed
US-20030100546-A1 Neuropeptide Y antagonists ELLIOTT RICHARD L (US) 2003-05-29 US claimed
US-20020061897-A1 Neuropeptide Y antagonists ELLIOTT RICHARD L (US) 2002-05-23 US claimed
US-6649759-B2 Pyrazolo(1,5-a)pyrimidine derivatives; treating feeding, cardiovascular and psychological disorders PFIZER INC. 2003-11-18 US disclosed
US-20030100546-A1 Neuropeptide Y antagonists ELLIOTT RICHARD L (US) 2003-05-29 US disclosed
US-20020061897-A1 Neuropeptide Y antagonists ELLIOTT RICHARD L (US) 2002-05-23 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 (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-20030100546-A1 Neuropeptide Y antagonists NPY1R, NPY2R, GIPR MAPK8 2765/4885BTK 3784/4885MRGPRX2 56/4885
US-20020061897-A1 Neuropeptide Y antagonists NPY1R, NPY2R, GIPR MAPK8 2765/4885BTK 3784/4885MRGPRX2 56/4885

“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.