SCHEMBL9956341

SCHEMBL9956341

Cc1nsc(I)c1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
CSNK2A1 P68400 1/20 0.38
PIM3 Q86V86 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
KDM4E B2RXH2 2/20 0.36
PKM P14618 1/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 1/20 0.35
PDE10A Q9Y233 1/20 0.35
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 2/20 0.34
RECQL P46063 1/20 0.34
NOTUM Q6P988 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32
CYP3A4 P08684 1/20 0.32
ACHE P22303 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 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
SCHEMBL8306201 0.79 L3MBTL1 (0.42) L3MBTL1CSNK2A1PIM3CLK4KDM4E
SCHEMBL1527760 0.76 PDE4D (0.53) L3MBTL1KDM4EPKMKMT2AALDH1A1
SCHEMBL8307577 0.74 ALDH1A1 (0.39) L3MBTL1CSNK2A1PIM3CLK4KDM4E
SCHEMBL29790182 0.74 L3MBTL1 (0.38) L3MBTL1CSNK2A1PIM3CLK4KDM4E
SCHEMBL8188239 0.74 KDM4E (0.40) L3MBTL1CSNK2A1PIM3CLK4KDM4E
SCHEMBL26288476 0.74 SMN1; SMN2 (0.38) L3MBTL1KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL20027633 0.71 HPGD (0.44) KDM4EKMT2AALDH1A1PDE10ASMN1; SMN2
SCHEMBL14710261 0.71 L3MBTL1 (0.36) L3MBTL1CSNK2A1PIM3CLK4KDM4E
SCHEMBL3574484 0.71 L3MBTL1 (0.46) L3MBTL1CSNK2A1PIM3CLK4KDM4E
SCHEMBL26927225 0.70 KDM4E (0.41) L3MBTL1CSNK2A1PIM3CLK4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022174883-A1 5-MEMBERED HETEROCYCLYL DERIVATIVES AS DUAL LPA RECEPTOR 1 AND LPA RECEPTOR 2 INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2022-08-25 WO disclosed
CN-104703979-B Heterocyclic compounds and their use 无限药品股份有限公司 2018-11-27 CN disclosed
EP-2655323-B1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LTD (IE) 2017-12-20 EP disclosed
US-20170217910-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2017-08-03 US disclosed
US-9718815-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-08-01 US disclosed
US-9718815-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-08-01 US disclosed
US-9718815-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-08-01 US disclosed
US-9708286-B2 Ingenol-3-acylates III and ingenol-3-carbamates LEO LABORATORIES LIMITED (IE) 2017-07-18 US disclosed
US-9605003-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-03-28 US disclosed
US-9605003-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-03-28 US disclosed
US-20130029984-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, LLC (US) 2013-01-31 US disclosed
US-20130029982-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, LLC (US) 2013-01-31 US disclosed
US-20130029984-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, LLC (US) 2013-01-31 US disclosed
US-20130029982-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, LLC (US) 2013-01-31 US disclosed
US-20130029984-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, LLC (US) 2013-01-31 US disclosed
US-20130029982-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, LLC (US) 2013-01-31 US disclosed
WO-2013012915-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS INC. (US) 2013-01-24 WO disclosed
WO-2013012918-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS INC. (US) 2013-01-24 WO disclosed
CN-102596969-A Condensed quinolines as protein kinase modulators CYLENE PHARMACEUTICALS INC 2012-07-18 CN disclosed
WO-2012083953-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO PHARMA A/S (DK) 2012-06-28 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-20130029982-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB L3MBTL1 4198/4885CSNK2A1 358/4885PIM3 479/4885
US-20170217910-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG L3MBTL1 3703/4885CSNK2A1 2181/4885PIM3 2604/4885
US-20130029984-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB L3MBTL1 4198/4885CSNK2A1 358/4885PIM3 479/4885

“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.