Sugi Predict

Sugi Predict / Compounds / SCHEMBL3215516

SCHEMBL3215516

SCHEMBL3215516

Cc1cc(-c2ccccn2)n[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 4/20 0.58
▸ PIN1 Q13526 1/20 0.56
▸ KDM4E B2RXH2 6/20 0.54
▸ LMNA P02545 3/20 0.54
▸ CCR1 P32246 3/20 0.54
▸ CCR5 P51681 3/20 0.54
▸ CCR8 P51685 3/20 0.54
▸ METAP1 P53582 2/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ POLB P06746 1/20 0.54
▸ BLM P54132 1/20 0.54
▸ HIF1A Q16665 1/20 0.54
▸ DOHH Q9BU89 1/20 0.54
▸ P4HTM Q9NXG6 1/20 0.54
▸ NPC1 O15118 5/20 0.51
▸ HSD17B10 Q99714 3/20 0.51
▸ GAA P10253 1/20 0.51
▸ ALK Q9UM73 1/20 0.50
▸ METAP2 P50579 2/20 0.49
▸ CBFB Q13951 1/20 0.49

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
SCHEMBL30489997 1.00 L3MBTL1 (0.58) L3MBTL1PIN1KDM4ELMNACCR1
Dipyridyl SCHEMBL9117475 0.87 KDM4E (0.52) L3MBTL1PIN1KDM4ELMNACCR1
SCHEMBL18198214 0.80 PIN1 (0.51) L3MBTL1PIN1KDM4ELMNACCR1
SCHEMBL23202619 0.79 PIN1 (0.54) L3MBTL1PIN1KDM4ELMNACCR1
SCHEMBL31096555 0.79 PIN1 (0.54) L3MBTL1PIN1KDM4ELMNACCR1
SCHEMBL1528433 0.78 PIN1 (0.57) L3MBTL1PIN1KDM4ELMNACCR1
SCHEMBL29376325 0.78 PIN1 (0.57) L3MBTL1PIN1KDM4ELMNACCR1
SCHEMBL3232785 0.78 HCAR2 (0.55) L3MBTL1KDM4ELMNAMETAP1CYP1A2
SCHEMBL18027880 0.78 L3MBTL1 (0.59) L3MBTL1KDM4ELMNACCR1CCR5
SCHEMBL8796580 0.77 PIN1 (0.56) L3MBTL1PIN1KDM4ELMNACCR1

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116446184-A Preparation method of superfine fiber synthetic leather containing isatis root active ingredient 百草边大生物科技(青岛)有限公司 2023-07-18 — — CN disclosed
WO-2021183439-A1 SUBSTITUTED FURO[3,2-D]PYRIMIDINES AND USES THEREOF Verge Analytics, Inc. (US) 2021-09-16 — — WO disclosed
WO-2021120890-A1 PYRAZOLYL DERIVATIVES USEFUL AS ANTI-CANCER AGENTS NOVARTIS AG (CH) 2021-06-24 — — WO disclosed
US-20170305878-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2017-10-26 — — US disclosed
US-20160244860-A1 ALIPHATIC-AROMATIC HETEROCYCLIC COMPOUNDS AND USES THEREOF IN METAL EXTRACTANT COMPOSITIONS CYTEC IND INC (US) 2016-08-25 — — US disclosed
US-20140323448-A1 sGC STIMULATORS Ironwood Pharmaceuticals Inc. (US) 2014-10-30 — — US disclosed
EP-1720545-B1 BICYCLIC AND BRIDGED NITROGEN HETEROCYCLES CHEMOCENTRYX INC (US) 2014-10-29 — — EP disclosed
US-8748442-B2 sGC stimulators IRONWOOD PHARMACEUTICALS, INC. (US) 2014-06-10 — — US disclosed
EP-2084146-B1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2013-08-21 — — EP disclosed
US-8354432-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-15 — — US disclosed
EP-1546078-A1 PROCESS FOR PREPARING ARYL ALLYL ETHERS Dow Global Technologies Inc. (US) 2005-06-29 — — EP disclosed
WO-2005056015-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2005-06-23 — — WO disclosed
US-20050033094-A1 Process for preparing aryl allyl ethers BORIACK CLINTON J (US) 2005-02-10 — — US disclosed
EP-1080084-B1 PROCESS FOR EPOXIDATION OF ARYL ALLYL ETHERS DOW GLOBAL TECHNOLOGIES INC (US) 2004-05-06 — — EP disclosed
WO-2004013076-A1 PROCESS FOR PREPARING ARYL ALLYL ETHERS DOW GLOBAL TECHNOLOGIES INC. (US) 2004-02-12 — — WO disclosed
US-20040024263-A1 Process for preparing aryl allyl ethers BORIACK CLINTON J (US) 2004-02-05 — — US disclosed
CN-1303382-A Epoxidation process for aryl allyl ethers DOW CHEMICAL CO (US) 2001-07-11 — — CN disclosed
EP-1080084-A2 PROCESS FOR EPOXIDATION OF ARYL ALLYL ETHERS THE DOW CHEMICAL COMPANY (US) 2001-03-07 — — EP disclosed
US-6087513-A REACTION OF ALLYL ARYL ETHER WITH HYDROGEN PEROXIDE IN THE PRESENCE OF TRANSITION METALS FOR OXIDATION THE DOW CHEMICAL COMPANY (US) 2000-07-11 — — US disclosed
WO-1999062894-A2 PROCESS FOR EPOXIDATION OF ARYL ALLYL ETHERS THE DOW CHEMICAL COMPANY (US) 1999-12-09 — — 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 (5 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-20140323448-A1 sGC STIMULATORS GUCY1A1, PTGIS, GUCY1B1 L3MBTL1 4623/4885PIN1 4852/4885KDM4E 2445/4885
US-20170305878-A1 sGC STIMULATORS GUCY1A1, PTGIS, GUCY1B1 L3MBTL1 4623/4885PIN1 4852/4885KDM4E 2445/4885
US-20040024263-A1 Process for preparing aryl allyl ethers PICALM, AP2M1, AP1M1 L3MBTL1 3033/4885PIN1 462/4885KDM4E 630/4885
US-20050033094-A1 Process for preparing aryl allyl ethers PICALM, AP2M1, AP1M1 L3MBTL1 3033/4885PIN1 462/4885KDM4E 630/4885
US-20160244860-A1 ALIPHATIC-AROMATIC HETEROCYCLIC COMPOUNDS AND USES THEREOF IN METAL EXTRACTANT COMPOSITIONS ATIC, ALK, ME1 L3MBTL1 1591/4885PIN1 853/4885KDM4E 1539/4885

“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.