SCHEMBL9942538

SCHEMBL9942538

C=CCn1nc2ccc(I)cc2n1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.36
KDM4E B2RXH2 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
JAK2 O60674 1/20 0.31
SLC2A1 P11166 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL205108 0.79 HPGD (0.38) KDM4ENPSR1ALDH1A1MAPTHPGD
SCHEMBL4427147 0.77 KDM4E (0.47) KDM4ENPSR1ALDH1A1MAPTHPGD
SCHEMBL11499136 0.73 KDM4E (0.38) KDM4ENPSR1ALDH1A1MAPTHPGD
SCHEMBL23597744 0.72 KMT2A (0.46) KDM4EALDH1A1MAPTHPGDRAB9A
SCHEMBL9942543 0.68 PRNP (0.38) MAPTSMN1; SMN2
SCHEMBL10891799 0.68 MAPT (0.41) KDM4ENPSR1ALDH1A1MAPTHPGD
SCHEMBL23523865 0.66 SMN1; SMN2 (0.51) KDM4EALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL18924143 0.64
SCHEMBL6422036 0.63 CYP3A4 (0.35) CNR1KDM4EALDH1A1MAPTHPGD
SCHEMBL19607683 0.62

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-8283475-B2 Aryloazol-2-yl cyanoethylamino compounds, method of making and method of using thereof MERIAL LIMITED (US) 2012-10-09 US disclosed
US-20120149750-A1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF MERIAL, INC. 2012-06-14 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-20120149750-A1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF CYP4X1, CBR3, TYR CNR1 424/4885KDM4E 77/4885NPSR1 1370/4885

“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.