SCHEMBL14239490

SCHEMBL14239490

c1cnc2c(c1)ccn2-c1noc(C2CCNCC2)n1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.46
HTR1A P08908 11/20 0.38
SLC6A2 P23975 11/20 0.38
SLC6A4 P31645 11/20 0.38
SLC6A3 Q01959 6/20 0.38
CDC7 O00311 1/20 0.38
CDK2 P24941 1/20 0.38
TP53 P04637 2/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BCHE P06276 1/20 0.34
ACHE P22303 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
Trifluoroacetic Acid SCHEMBL15488720 0.90 NR1H4 (0.39) NR1H4HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL27963963 0.81 EPHX2 (0.42) SMN1; SMN2
SCHEMBL28811986 0.79 SMO (0.33) NR1H4CDC7CDK2TP53NPC1
SCHEMBL14239706 0.78 NR1H4 (0.44) NR1H4
SCHEMBL14239489 0.78 DRD4 (0.42) NR1H4ALDH1A1ACHE
Hydrochloric Acid SCHEMBL15488169 0.77 NR1H4 (0.43) NR1H4
SCHEMBL28811987 0.77 CNR2 (0.36) CDC7CDK2TP53NPC1ALDH1A1
SCHEMBL14158342 0.76 GPR119 (0.47) SMN1; SMN2
SCHEMBL22538454 0.69 CDC7 (0.57) CDC7CDK2TP53SMN1; SMN2
SCHEMBL14239366 0.66 TP53 (0.39) HTR1ASLC6A2SLC6A4SLC6A3CDC7

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-20140057895-A1 INDAZOLE- AND PYRROLOPYRIDINE-DERIVATIVE AND PHARMACEUTICAL USE THEREOF SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-02-27 US disclosed
US-20140057895-A1 INDAZOLE- AND PYRROLOPYRIDINE-DERIVATIVE AND PHARMACEUTICAL USE THEREOF SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-02-27 US disclosed
WO-2012169649-A1 INDAZOLE- AND PYRROLOPYRIDINE-DERIVATIVE AND PHARMACEUTICAL USE THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-12-13 WO 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-20140057895-A1 INDAZOLE- AND PYRROLOPYRIDINE-DERIVATIVE AND PHARMACEUTICAL USE THEREOF HTR4, HTR3B, HTR3A NR1H4 291/4885HTR1A 14/4885SLC6A2 391/4885

“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.