SCHEMBL16400419

SCHEMBL16400419

Cc1nc(CN2CCNC(C)C2)no1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BIRC2 Q13490 2/20 0.36
▸ PDE10A Q9Y233 1/20 0.36
▸ MLNR O43193 9/20 0.34
▸ ENPP2 Q13822 1/20 0.34
▸ GRIN2D O15399 1/20 0.34
▸ GRIN3B O60391 1/20 0.34
▸ GRIN1 Q05586 1/20 0.34
▸ GRIN2A Q12879 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ GRIN2C Q14957 1/20 0.34
▸ GRIN3A Q8TCU5 1/20 0.34
▸ AURKA O14965 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ GRM2 Q14416 2/20 0.32
▸ WNT1 P04628 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ DYRK1A Q13627 1/20 0.32

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
SCHEMBL16400418 1.00 BIRC2 (0.36) BIRC2PDE10AMLNRENPP2GRIN2D
Hydrochloric Acid SCHEMBL17092836 0.78 LMNA (0.41) AURKACYP2D6CYP2C9FLT3KCNH2
SCHEMBL12393 0.77 LMNA (0.46) —
SCHEMBL12449661 0.77 LMNA (0.46) —
SCHEMBL12626 0.73 NPC1 (0.44) AURKACYP2D6CYP2C9FLT3KCNH2
SCHEMBL6214845 0.71 MEN1 (0.49) MLNRCYP2D6CYP2C9
SCHEMBL5958476 0.71 MEN1 (0.49) MLNRCYP2D6CYP2C9
SCHEMBL31155353 0.70 OGA (0.36) —
SCHEMBL23277812 0.68 KCNH2 (0.36) ENPP2GRIN1GRIN2BAURKACYP2D6
SCHEMBL16091366 0.66 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3022202-B1 AUTOTAXIN INHIBITORS COMPRISING A HETEROAROMATIC RING-BENZYL-AMIDE-CYCLE CORE NOVARTIS AG (CH) 2019-05-15 — — EP disclosed
US-10183025-B2 Autotaxin inhibitors NOVARTIS AG (CH) 2019-01-22 — — US disclosed
US-20180021345-A1 AUTOTAXIN INHIBITORS NOVARTIS AG (CH) 2018-01-25 — — US disclosed
US-9763957-B2 Autotaxin inhibitors NOVARTIS AG (CH) 2017-09-19 — — US disclosed
US-20160184318-A1 AUTOTAXIN INHIBITORS NOVARTIS AG (CH) 2016-06-30 — — US disclosed
EP-3022202-A1 AUTOTAXIN INHIBITORS COMPRISING A HETEROAROMATIC RING-BENZYL-AMIDE-CYCLE CORE Novartis AG (CH) 2016-05-25 — — EP disclosed
CN-105555783-A Autotaxin inhibitors comprising a heteroaromatic ring-benzyl-amide-cycle core NOVARTIS AG 2016-05-04 — — CN disclosed
WO-2015008230-A1 AUTOTAXIN INHIBITORS COMPRISING A HETEROAROMATIC RING-BENZYL-AMIDE-CYCLE CORE NOVARTIS AG (CH) 2015-01-22 — — 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 (3 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-20160184318-A1 AUTOTAXIN INHIBITORS ENPP2, SERPINB1, TFPI BIRC2 425/4885PDE10A 2194/4885MLNR 3467/4885
US-20180021345-A1 AUTOTAXIN INHIBITORS ENPP2, SERPINB1, TFPI BIRC2 425/4885PDE10A 2194/4885MLNR 3467/4885
US-10183025-B2 Autotaxin inhibitors ENPP2, SERPINB1, TFPI BIRC2 425/4885PDE10A 2194/4885MLNR 3467/4885

“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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