SCHEMBL5226597

SCHEMBL5226597

Cc1n[nH]c(CN2CCN(C)CC2)c1Oc1cc(Cl)cc(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MC4R P32245 1/20 0.34
MAPT P10636 1/20 0.34
DRD2 P14416 2/20 0.33
HTR2A P28223 2/20 0.33
HTR7 P34969 2/20 0.33
HTR6 P50406 2/20 0.33
AXL P30530 1/20 0.33
TGFBR1 P36897 1/20 0.33
ACVR1 Q04771 1/20 0.33
BRD4 O60885 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 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
SCHEMBL509887 0.88 PDE10A (0.39) KCNH2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL5228178 0.86 KCNH2 (0.35) KCNH2POLBDRD2
SCHEMBL5225036 0.85 LMNA (0.41) KCNH2MEN1KMT2AALDH1A1MAPT
SCHEMBL5226665 0.82 ALDH1A1 (0.44) KCNH2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL5226728 0.81 MAPT (0.43) KCNH2MAPTHTR2A
SCHEMBL508346 0.80 KCNH2 (0.54) KCNH2
SCHEMBL5231467 0.77 KCNH2 (0.43) KCNH2MAPT
SCHEMBL509896 0.76 KCNH2 (0.50) KCNH2
SCHEMBL509996 0.76 KCNH2 (0.50) KCNH2MEN1KMT2AALDH1A1
SCHEMBL5226802 0.76 KCNH2 (0.50) KCNH2ALDH1A1MAPT

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
EP-1377556-B1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LTD (GB) 2007-04-04 EP claimed
EP-1762567-A1 Pyrazole derivatives for treating HIV Pfizer Limited (GB) 2007-03-14 EP claimed
US-20030100554-A1 Pyrazole derivatives JONES LYN HOWARD (GB) 2003-05-29 US claimed

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-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 KCNH2 3503/4885MEN1 4636/4885KMT2A 3782/4885

“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.