SCHEMBL995474

SCHEMBL995474

O=C(Nc1cnc2ccccc2c1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 1.00
NPC1 O15118 6/20 0.81
RAB9A P51151 6/20 0.81
ALDH1A1 P00352 3/20 0.81
KDM4E B2RXH2 2/20 0.79
MITF O75030 1/20 0.79
XBP1 P17861 1/20 0.79
PAX8 Q06710 1/20 0.79
KLF5 Q13887 1/20 0.79
SMN1; SMN2 Q16637 4/20 0.77
TRPV1 Q8NER1 9/20 0.75
LMNA P02545 1/20 0.75
PKM P14618 1/20 0.75
PABPC1 P11940 1/20 0.69
MAPT P10636 1/20 0.64
NFKB1 P19838 1/20 0.64
NFKB2 Q00653 1/20 0.64
RELA Q04206 1/20 0.64
USP2 O75604 1/20 0.62
CYP1A2 P05177 1/20 0.62

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
SCHEMBL847083 0.91 KDR (0.84) KDRNPC1RAB9AALDH1A1KDM4E
SCHEMBL19616459 0.90 KDR (0.81) KDRNPC1RAB9AALDH1A1KDM4E
SCHEMBL29647749 0.90 KDR (0.81) KDRNPC1RAB9AALDH1A1KDM4E
SCHEMBL846685 0.90 KDR (0.81) KDRNPC1RAB9AALDH1A1KDM4E
SCHEMBL845978 0.88 KDR (0.79) KDRNPC1RAB9AALDH1A1KDM4E
SCHEMBL846216 0.88 NPC1 (1.00) KDRNPC1RAB9AALDH1A1KDM4E
SCHEMBL4936436 0.87 NPC1 (1.00) KDRNPC1RAB9AALDH1A1KDM4E
SCHEMBL846874 0.87 NPC1 (0.78) KDRNPC1RAB9AALDH1A1KDM4E
SCHEMBL13991707 0.86 NPC1 (0.81) KDRNPC1RAB9AALDH1A1KDM4E
SCHEMBL19662759 0.86 NPC1 (0.76) KDRNPC1RAB9AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3324954-B1 AMINONAPTHOQUINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITION FOR BLOCKING UBIQUITINATION-PROTEASOME SYSTEM IN DISEASES CALGENT BIOTECHNOLOGY CO LTD (TW) 2022-03-09 EP claimed
WO-2012100223-A1 SYNTHETIC LETHAL TARGETING OF GLUCOSE TRANSPORT IRWIN JOHN (US) 2012-07-26 WO claimed
WO-2011011514-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2011-01-27 WO claimed
US-20220127265-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2022-04-28 US disclosed
EP-2924028-A1 TRPV-1 RECEPTOR ANTAGONIST COMPOUND DERIVED FROM 1,3,4-THIADIAZOLE ALKYLAMIDES AND CHALCONES Universidad De Concepcion (CL) 2015-09-30 EP disclosed
WO-2014078971-A1 TRPV-1 RECEPTOR ANTAGONIST COMPOUND DERIVED FROM 1,3,4-THIADIAZOLE ALKYLAMIDES AND CHALCONES UNIVERSIDAD DE CONCEPCION (CL) 2014-05-30 WO disclosed
US-8394828-B2 Quinoline-derived amide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA, NV (BE) 2013-03-12 US disclosed
US-8394828-B2 Quinoline-derived amide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA, NV (BE) 2013-03-12 US disclosed
US-8394828-B2 Quinoline-derived amide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA, NV (BE) 2013-03-12 US disclosed
US-8362249-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-29 US disclosed
WO-2012100223-A1 SYNTHETIC LETHAL TARGETING OF GLUCOSE TRANSPORT IRWIN JOHN (US) 2012-07-26 WO disclosed
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR CODD ELLEN 2008-12-04 US disclosed
EP-1603883-A2 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2005-12-14 EP disclosed
WO-2004069792-A2 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (US) 2004-08-19 WO disclosed
US-6720344-B2 BINDING TO NUCLEAR RECEPTOR PROTEINS; STIMULATING BMP-2 PROMOTER ACTIVITY THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2004-04-13 US disclosed
US-20030119791-A1 Methods and compositions for stimulating osteoblast proliferation or treating malignant cell proliferation and methods for selecting osteoblast proliferation stimulants KERWIN SEAN M (US) 2003-06-26 US disclosed
EP-0912549-A4 COMPOUNDS AND METHODS FOR PROVIDING PHARMACOLOGICALLY ACTIVE PREPARATIONS AND USES THEREOF UNIV TEXAS (US) 2002-01-02 EP disclosed
CN-1226245-A Compound with pharmacological activity, preparation method and application thereof UNIV TEXAS (US) 1999-08-18 CN disclosed
EP-0912549-A1 COMPOUNDS AND METHODS FOR PROVIDING PHARMACOLOGICALLY ACTIVE PREPARATIONS AND USES THEREOF THE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1999-05-06 EP disclosed
WO-1997048694-A1 COMPOUNDS AND METHODS FOR PROVIDING PHARMACOLOGICALLY ACTIVE PREPARATIONS AND USES THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1997-12-24 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-20030119791-A1 Methods and compositions for stimulating osteoblast proliferation or treating malignant cell proliferation and methods for selecting osteoblast proliferation stimulants MKI67, HGF, AREG KDR 582/4885NPC1 3040/4885RAB9A 4564/4885
US-20220127265-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, CREBBP KDR 3653/4885NPC1 387/4885RAB9A 3405/4885
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR TRPV1, OPRL1, TRPV2 KDR 704/4885NPC1 1518/4885RAB9A 2453/4885

“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.