SCHEMBL2746970

SCHEMBL2746970

c1ccc(-c2nnco2)nc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.59
RXFP1 Q9HBX9 1/20 0.59
NOTUM Q6P988 7/20 0.53
LMNA P02545 3/20 0.50
CYP1A2 P05177 2/20 0.50
CCR1 P32246 2/20 0.50
CCR5 P51681 2/20 0.50
CCR8 P51685 2/20 0.50
POLB P06746 1/20 0.50
METAP1 P53582 1/20 0.50
BLM P54132 1/20 0.50
HIF1A Q16665 1/20 0.50
DOHH Q9BU89 1/20 0.50
P4HTM Q9NXG6 1/20 0.50
TP53 P04637 4/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48

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
SCHEMBL29683111 1.00 KDM4E (0.59) KDM4ERXFP1NOTUMLMNACYP1A2
SCHEMBL12446805 0.75 NOTUM (0.66) KDM4ERXFP1NOTUMTLR8
SCHEMBL1178849 0.74 NOTUM (0.42) KDM4ERXFP1NOTUMALDH1A1HPGD
SCHEMBL10553462 0.74 KDM4E (0.59) KDM4ELMNACYP1A2CCR1CCR5
SCHEMBL28394924 0.74 NOTUM (0.50) KDM4ERXFP1NOTUMTLR8
Dipyridyl SCHEMBL18229257 0.72 KDM4E (0.93) KDM4ELMNACYP1A2CCR1CCR5
Dipyridyl SCHEMBL8993652 0.72 KDM4E (0.93) KDM4ELMNACYP1A2CCR1CCR5
SCHEMBL6051817 0.72 NOTUM (0.41) KDM4ERXFP1NOTUMNPC1RAB9A
Dipyridyl SCHEMBL3711450 0.69 KDM4E (1.00) KDM4ELMNACYP1A2CCR1CCR5
SCHEMBL12906161 0.69 NOTUM (0.59) KDM4ENOTUMLMNAALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2619190-A1 SUBSTITUTED OXADIAZOLE COMPOUNDS AND THEIR USE AS S1P1 AGONISTS Bristol-Myers Squibb Company (US) 2013-07-31 EP claimed
WO-2012040532-A1 SUBSTITUTED OXADIAZOLE COMPOUNDS AND THEIR USE AS S1P1 AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-29 WO claimed
US-20250262201-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. 2025-08-21 US disclosed
WO-2023164236-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. (US) 2023-08-31 WO disclosed
WO-2023164236-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. (US) 2023-08-31 WO disclosed
US-20220119434-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2022-04-21 US disclosed
CN-111072842-B Water-soluble fluorescent polymer containing pyridyl 1,3, 4-oxadiazole and synthetic method thereof 山东泰和水处理科技股份有限公司 2021-12-10 CN disclosed
CN-111072842-B Water-soluble fluorescent polymer containing pyridyl 1,3, 4-oxadiazole and synthetic method thereof 山东泰和水处理科技股份有限公司 2021-12-10 CN disclosed
CN-111072842-B Water-soluble fluorescent polymer containing pyridyl 1,3, 4-oxadiazole and synthetic method thereof 山东泰和水处理科技股份有限公司 2021-12-10 CN disclosed
US-20210167302-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2021-06-03 US disclosed
US-10975113-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2021-04-13 US disclosed
EP-2252609-A1 PYRIDIN-2-YL DERIVATIVES AS IMMUNOMODULATING AGENTS Actelion Pharmaceuticals Ltd. (CH) 2010-11-24 EP disclosed
EP-1979345-B1 NOVEL PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-11-04 EP disclosed
US-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 US disclosed
WO-2009109872-A1 PYRIDIN-2-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2009-09-11 WO disclosed
US-20090005421-A1 Novel Pyridine Derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2009-01-01 US disclosed
EP-1979345-A2 NOVEL PYRIDINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2008-10-15 EP disclosed
WO-2007086001-A2 NOVEL PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2007-08-02 WO disclosed
US-20070105866-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2007-05-10 US disclosed
EP-0116515-B1 PESTICIDE CIBA-GEIGY AG (CH) 1988-09-21 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 (6 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-20250262201-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS PAH, KDM8, PHF8 KDM4E 104/4885RXFP1 951/4885NOTUM 1909/4885
US-20070105866-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS ALOX5, ALOX15B, ALOX15 KDM4E 2621/4885RXFP1 2686/4885NOTUM 185/4885
US-20220119434-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES L1CAM, SOD1, EPCAM KDM4E 4057/4885RXFP1 3729/4885NOTUM 3585/4885
US-10975113-B2 Organic electroluminescent materials and devices OSBPL3, OCIAD1, OSBP KDM4E 4617/4885RXFP1 4272/4885NOTUM 1026/4885
US-20090005421-A1 Novel Pyridine Derivatives NFATC1, TPMT, CD47 KDM4E 708/4885RXFP1 2711/4885NOTUM 4660/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT KDM4E 2232/4885RXFP1 1724/4885NOTUM 408/4885

“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.