Sugi Predict

Sugi Predict / Compounds / SCHEMBL3359896

SCHEMBL3359896

SCHEMBL3359896

Nc1c(-c2ccccn2)nnn1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ TSHR P16473 4/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ FLT3 P36888 1/20 0.37
▸ TP53 P04637 3/20 0.36
▸ HSD11B1 P28845 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ PDCD1 Q15116 1/20 0.33
▸ CD274 Q9NZQ7 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ CCR1 P32246 1/20 0.33
▸ CCR5 P51681 1/20 0.33
▸ CCR8 P51685 1/20 0.33
▸ METAP1 P53582 1/20 0.33
▸ BLM P54132 1/20 0.33

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
SCHEMBL1420775 0.71 L3MBTL1 (0.46) SMN1; SMN2TSHRMAPK1NPC1RAB9A
SCHEMBL14551969 0.69 SMN1; SMN2 (0.42) SMN1; SMN2TSHRMAPK1HSD11B1KDM4E
SCHEMBL14551971 0.69 SMN1; SMN2 (0.42) SMN1; SMN2TSHRMAPK1HSD11B1KDM4E
SCHEMBL3772574 0.66 HSD11B1 (0.39) SMN1; SMN2TSHRMAPK1NPC1RAB9A
Dipyridyl SCHEMBL28503547 0.65 KDM4E (0.70) SMN1; SMN2TSHRMAPK1NPC1RAB9A
SCHEMBL27934023 0.65 MAPK1 (0.44) SMN1; SMN2TSHRMAPK1HSD11B1CYP1A2
SCHEMBL12314563 0.65 SMN1; SMN2 (0.39) SMN1; SMN2TSHRMAPK1NPC1RAB9A
SCHEMBL3781020 0.64 SMN1; SMN2 (0.50) SMN1; SMN2TSHRMAPK1HSD11B1KDM4E
SCHEMBL14481601 0.63 SMN1; SMN2 (0.42) SMN1; SMN2TSHRMAPK1HSD11B1KDM4E
SCHEMBL14481387 0.63 SMN1; SMN2 (0.42) SMN1; SMN2TSHRMAPK1HSD11B1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3239131-A1 NEW COMPOUNDS WITH ACTIVITY THAT PROTECTS AGAINST THE ACTION OF TOXINS AND VIRUSES IN INTRACELLULAR ACTION MODE Commissariat à l'Energie Atomique et aux Energies Alternatives (FR) 2017-11-01 — — EP claimed
US-20170233386-A1 Compounds Which Have a Protective Activity with Respect to the Action of Toxins and of Viruses with an Intracellular Mode of Action COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2017-08-17 — — US claimed
US-20160083355-A1 COMPOUNDS WHICH HAVE A PROTECTIVE ACTIVITY WITH RESPECT TO THE ACTION OF TOXINS AND OF VIRUSES WITH AN INTRACELLULAR MODE OF ACTION COMMISSARIAT ENERGIE ATOMIQUE (FR) 2016-03-24 — — US claimed
US-20120283249-A1 Novel compounds which have a protective activity with respect to the action of toxins and of viruses with an intracellular mode of action COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2012-11-08 — — US claimed
EP-2145873-A1 New compounds with activity that protects against the action of toxins and viruses in intracellular action mode COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2010-01-20 — — EP claimed
EP-3239131-A1 NEW COMPOUNDS WITH ACTIVITY THAT PROTECTS AGAINST THE ACTION OF TOXINS AND VIRUSES IN INTRACELLULAR ACTION MODE Commissariat à l'Energie Atomique et aux Energies Alternatives (FR) 2017-11-01 — — EP disclosed
US-20170233386-A1 Compounds Which Have a Protective Activity with Respect to the Action of Toxins and of Viruses with an Intracellular Mode of Action COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2017-08-17 — — US disclosed
US-20160083355-A1 COMPOUNDS WHICH HAVE A PROTECTIVE ACTIVITY WITH RESPECT TO THE ACTION OF TOXINS AND OF VIRUSES WITH AN INTRACELLULAR MODE OF ACTION COMMISSARIAT ENERGIE ATOMIQUE (FR) 2016-03-24 — — US disclosed
US-20120283249-A1 Novel compounds which have a protective activity with respect to the action of toxins and of viruses with an intracellular mode of action COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2012-11-08 — — US disclosed
EP-2145873-A1 New compounds with activity that protects against the action of toxins and viruses in intracellular action mode COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2010-01-20 — — EP 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-20120283249-A1 Novel compounds which have a protective activity with respect to the action of toxins and of viruses with an intracellular mode of action HAVCR2, MAVS, ANTXR2 SMN1; SMN2 3101/4885TSHR 943/4885MAPK1 2126/4885
US-20160083355-A1 COMPOUNDS WHICH HAVE A PROTECTIVE ACTIVITY WITH RESPECT TO THE ACTION OF TOXINS AND OF VIRUSES WITH AN INTRACELLULAR MODE OF ACTION HAVCR2, MAVS, ANTXR2 SMN1; SMN2 3088/4885TSHR 547/4885MAPK1 2082/4885
US-20170233386-A1 Compounds Which Have a Protective Activity with Respect to the Action of Toxins and of Viruses with an Intracellular Mode of Action HAVCR2, MAVS, ANTXR2 SMN1; SMN2 3088/4885TSHR 547/4885MAPK1 2082/4885

“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.