SCHEMBL1493339

SCHEMBL1493339

Nc1cc(N2CCCC2)n[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
HSD17B10 Q99714 2/20 0.50
KDM4E B2RXH2 1/20 0.50
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
RAB9A P51151 1/20 0.50
HRH4 Q9H3N8 6/20 0.47
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
CASP1 P29466 1/20 0.40
CASP4 P49662 1/20 0.40
CASP5 P51878 1/20 0.40
NUDT1 P36639 3/20 0.40
PDPK1 O15530 2/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 2/20 0.39
CYP1A2 P05177 1/20 0.39

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
Hydrochloric Acid SCHEMBL923005 0.98 SMN1; SMN2 (0.49) SMN1; SMN2HSD17B10KDM4ENPC1ALDH1A1
SCHEMBL19924700 0.98 SMN1; SMN2 (0.53) SMN1; SMN2HSD17B10KDM4ENPC1ALDH1A1
SCHEMBL922909 0.82 KMT2A (0.49) KDM4EALDH1A1GAAMAPTCRHBP
SCHEMBL922677 0.82 HRH4 (0.50) HRH4
Hydrochloric Acid SCHEMBL925122 0.81 KMT2A (0.47) KDM4EALDH1A1GAAMAPTCRHBP
SCHEMBL1269262 0.75 KDM4E (0.50) SMN1; SMN2HSD17B10KDM4ENPC1ALDH1A1
SCHEMBL12692666 0.69 ALK (0.48) HSD17B10KDM4ENPC1ALDH1A1GAA
SCHEMBL15822827 0.68 ALDH1A1 (0.47) SMN1; SMN2HSD17B10KDM4ENPC1ALDH1A1
SCHEMBL13779832 0.67 HRH4 (0.57) SMN1; SMN2HSD17B10KDM4EALDH1A1MAPT
SCHEMBL14783337 0.66 KMT2A (0.46) SMN1; SMN2KDM4EALDH1A1MAPTHRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2470539-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2012-07-04 EP disclosed
US-20120157451-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC (US) 2012-06-21 US disclosed
CN-102482283-A Raf inhibitor compounds and methods of use thereof ARRAY BIOPHARMA INC 2012-05-30 CN disclosed
WO-2011025951-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-03-03 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-20120157451-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF SMN1; SMN2 1935/4885HSD17B10 2882/4885KDM4E 3835/4885

“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.