SCHEMBL17403441

SCHEMBL17403441

COc1ccc(CN(C)c2nc(Nc3ccccc3)nn2Cc2ccc(OC)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 2/20 0.44
KCNH3 Q9ULD8 2/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPY5R Q15761 1/20 0.40
BUB1 O43683 2/20 0.40
ADORA2A P29274 1/20 0.40
JAK2 O60674 3/20 0.39
PTK2 Q05397 3/20 0.39
JAK3 P52333 2/20 0.39
IGF1R P08069 1/20 0.39
SLC2A1 P11166 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ABCB11 O95342 1/20 0.39
HDAC6 Q9UBN7 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
SCHEMBL17366562 0.90 ACP1 (0.42) ACP1KCNH3ALDH1A1MAPTLMNA
SCHEMBL16023894 0.87 SMN1; SMN2 (0.38) ACP1ALDH1A1MAPTADORA2ASMN1; SMN2
SCHEMBL17366559 0.80 ALDH1A1 (0.49) KCNH3ALDH1A1MAPTLMNAHPGD
SCHEMBL15555010 0.78 ACHE (0.43) LMNAHDAC6MEN1NPC1RAB9A
SCHEMBL16014413 0.78 AR (0.44) BUB1PTK2IGF1RMAPK1
SCHEMBL16014680 0.77 ALDH1A1 (0.52) ALDH1A1MAPTLMNAALOX15NPSR1
SCHEMBL16023965 0.77 ALDH1A1 (0.41) ALDH1A1MAPTADORA2ASMN1; SMN2MEN1
SCHEMBL15556306 0.77 MEN1 (0.46) ACP1MAPTLMNAHPGDHSD17B10
SCHEMBL15606470 0.77 NPBWR1 (0.39) ACP1KCNH3MAPTLMNAJAK2
SCHEMBL15904396 0.76 AKR1C3 (0.41) ACP1ALDH1A1BUB1ADORA2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160002180-A1 ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (US) 2016-01-07 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-20160002180-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS ACP1 4504/4885KCNH3 4411/4885ALDH1A1 204/4885

“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.