SCHEMBL18678314

SCHEMBL18678314

COCCNCc1ccncc1C(=O)NCCOC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 2/20 0.47
▸ MAPK1 P28482 1/20 0.44
▸ HPGD P15428 3/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ BRAF P15056 2/20 0.41
▸ PIM1 P11309 1/20 0.41
▸ PIM2 Q9P1W9 1/20 0.41
▸ CCNC P24863 1/20 0.40
▸ CDK8 P49336 1/20 0.40
▸ HASPIN Q8TF76 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ PDCD1 Q15116 1/20 0.39
▸ CD274 Q9NZQ7 1/20 0.39
▸ TP53 P04637 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
SCHEMBL13116576 0.83 MAPK1 (0.50) NAMPTMAPK1HPGDMEN1CYP1A2
SCHEMBL13634518 0.80 SIRT3 (0.50) NAMPTMAPK1HPGDMEN1CYP1A2
SCHEMBL17438594 0.77 MAPK1 (0.48) NAMPTMAPK1HPGDMEN1CYP1A2
SCHEMBL14875446 0.77 AOC1 (0.49) NAMPTMAPTBRAFHTTPDCD1
SCHEMBL17438584 0.76 MAPK1 (0.47) NAMPTMAPK1HPGDMAPTMEN1
SCHEMBL13162041 0.72 ALDH1A1 (0.54) HPGDKMT2ATDP1TP53ALDH1A1
SCHEMBL8488280 0.71 NAMPT (0.64) NAMPTHPGDMAPTCYP1A2CYP3A4
SCHEMBL1116738 0.70 KMT2A (0.76) MAPTMEN1CYP1A2CYP3A4KMT2A
SCHEMBL29634495 0.70 KMT2A (0.76) MAPTMEN1CYP1A2CYP3A4KMT2A
SCHEMBL28183358 0.70 MAPK1 (0.56) MAPK1HPGDHTT

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-20170088876-A1 Assays, Methods and Means OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2017-03-30 — — 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-20170088876-A1 Assays, Methods and Means EGLN3, EGLN2, P4HA1 NAMPT 2732/4885MAPK1 3073/4885HPGD 398/4885

“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.

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