SCHEMBL19966697

SCHEMBL19966697

CNCC/C(C)=N/N(C)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 3/20 0.36
HTR2A P28223 2/20 0.34
HRH1 P35367 2/20 0.34
HTR1B P28222 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HTR1D P28221 1/20 0.33

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
SCHEMBL8499830 0.78 KDM4E (0.47) TAAR1LMNAKMT2AALDH1A1SIGMAR1
SCHEMBL8499831 0.78 KDM4E (0.47) TAAR1LMNAKMT2AALDH1A1SIGMAR1
SCHEMBL27577810 0.76 LMNA (0.42) L3MBTL1LMNAKMT2AMEN1MTNR1A
SCHEMBL4649394 0.72 LMNA (0.39) L3MBTL1LMNAKMT2AMEN1NPC1
SCHEMBL8656252 0.72 MEN1 (0.46) L3MBTL1LMNAKMT2AMEN1NPC1
SCHEMBL9556656 0.69 SMN1; SMN2 (0.48) LMNAKMT2AMEN1RAB9AALDH1A1
SCHEMBL14371145 0.69 POLB (0.45) ATML3MBTL1LMNAKMT2AMEN1
SCHEMBL17383752 0.67 PRMT3 (0.31)
SCHEMBL27487152 0.67 MEN1 (0.42) ATML3MBTL1LMNAKMT2AMEN1
SCHEMBL11701796 0.67 KMT2A (0.59) ATML3MBTL1LMNAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9969719-B2 Substituted 2-hydrogen-pyrazole derivative serving as anticancer drug CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2018-05-15 US disclosed
US-20180072707-A1 SUBSTITUTED 2-HYDROGEN-PYRAZOLE DERIVATIVE SERVING AS ANTICANCER DRUG CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2018-03-15 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 (1 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-20180072707-A1 SUBSTITUTED 2-HYDROGEN-PYRAZOLE DERIVATIVE SERVING AS ANTICANCER DRUG CDK4, CDK6, CDK3 ATM 336/4885TAAR1 4763/4885L3MBTL1 3069/4885

“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.