SCHEMBL2968247

SCHEMBL2968247

Cc1ccccc1CNCCCn1c[c]nc1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.46
TP53 P04637 2/20 0.38
CD38 P28907 1/20 0.38
AURKA O14965 1/20 0.35
RPS6KB1 P23443 1/20 0.35
HPGD P15428 3/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ASAH1 Q13510 2/20 0.35
MAPK8 P45983 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
UBE2N P61088 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
TSHR P16473 1/20 0.34
P2RX7 Q99572 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
SCHEMBL2971685 0.88 CHRM2 (0.45) CHRM2TP53CD38AURKARPS6KB1
SCHEMBL2974384 0.84 HDAC3 (0.42) CHRM2ALDH1A1
SCHEMBL2970525 0.82 CHRM2 (0.43) CHRM2TP53MEN1KMT2ANPC1
SCHEMBL2967647 0.77 CHRM2 (0.43) CHRM2TP53ALDH1A1KDM4E
SCHEMBL2983770 0.77 CHRM2 (0.47) CHRM2TP53AURKAALDH1A1KDM4E
SCHEMBL2982077 0.77 CHRM2 (0.49) CHRM2AURKA
SCHEMBL2970656 0.76 HDAC3 (0.42) AURKARPS6KB1ALDH1A1KDM4EMEN1
SCHEMBL2975490 0.76 CYP1A2 (0.51) ALDH1A1KDM4E
SCHEMBL2972355 0.74 KMT2A (0.39) CHRM2ALDH1A1MEN1KMT2A
SCHEMBL2972914 0.74 SAT1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7781435-B2 Imidazole compounds for the treatment of neurological disorders PFIZER INC (US) 2010-08-24 US claimed
EP-1940802-A2 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS Pfizer Products Inc. (US) 2008-07-09 EP claimed
WO-2007034326-A2 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS PFIZER PRODUCTS INC. (US) 2007-03-29 WO claimed
US-20070066613-A1 Imidazole compounds for the treatment of neurological disorders PFIZER INC 2007-03-22 US claimed
US-7781435-B2 Imidazole compounds for the treatment of neurological disorders PFIZER INC (US) 2010-08-24 US disclosed
US-20100184737-A1 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS PFIZER INC (US) 2010-07-22 US disclosed
EP-1940802-A2 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS Pfizer Products Inc. (US) 2008-07-09 EP disclosed
WO-2007034326-A2 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS PFIZER PRODUCTS INC. (US) 2007-03-29 WO disclosed
US-20070066613-A1 Imidazole compounds for the treatment of neurological disorders PFIZER INC 2007-03-22 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-20070066613-A1 Imidazole compounds for the treatment of neurological disorders APP, PSEN1, BACE1 CHRM2 11/4885TP53 3023/4885CD38 2222/4885
US-20100184737-A1 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS APP, PSEN1, BACE1 CHRM2 11/4885TP53 3023/4885CD38 2222/4885

“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.