SCHEMBL3701907

SCHEMBL3701907

Cc1cnc2c(Cc3ccc(F)cc3)c(N)nn2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.42
SLC2A1 P11166 1/20 0.36
AR P10275 1/20 0.35
ATR Q13535 4/20 0.35
LMNA P02545 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
MAPT P10636 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
DRD4 P21917 1/20 0.34
DRD5 P21918 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
SLC6A4 P31645 1/20 0.34
HTR7 P34969 1/20 0.34
DRD3 P35462 1/20 0.34
ADCY10 Q96PN6 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
SCHEMBL3701795 0.71 KCNQ3 (0.61) ALDH1A1KCNQ3KCNQ2
SCHEMBL3712508 0.69 KCNQ3 (0.61) ALDH1A1KCNQ3KCNQ2KMT2A
SCHEMBL18851767 0.67 PTGS2 (0.37) PTGS2ATRALDH1A1HPGDMAPT
SCHEMBL13841865 0.67 KDR (0.49) ATRALDH1A1HPGDCSF1RFYN
SCHEMBL13841864 0.66 MAOB (0.56) NTRK1NTRK2
SCHEMBL3703648 0.65 ALDH1A1 (0.37) PTGS2ATRALDH1A1HPGDMAPT
SCHEMBL24198153 0.64 ATR (0.47) ATR
SCHEMBL30309938 0.64 ATR (0.37) ATR
SCHEMBL7465828 0.64 SMN1; SMN2 (0.41) PTGS2LMNAALDH1A1HPGDMAPT
SCHEMBL21375284 0.63 ATR (0.44) ATR

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-8609669-B2 Potassium channel modulators ABBVIE INC. (US) 2013-12-17 US disclosed
WO-2012067822-A1 PYRAZOLO [1, 5 -A] PYRIMIDIN POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2012-05-24 WO disclosed
US-20120122888-A1 Potassium Channel Modulators ABBOTT LABORATORIES (US) 2012-05-17 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-20120122888-A1 Potassium Channel Modulators KCNQ1, KCNQ2, KCNJ2 PTGS2 1276/4885SLC2A1 1216/4885AR 1801/4885

“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.