SCHEMBL3033887

SCHEMBL3033887

CCN(CC)c1cnn(-c2cccc(C)c2)c(=O)c1Cl

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.66
▸ NPC1 O15118 4/20 0.66
▸ PAX8 Q06710 2/20 0.66
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ CYP1A2 P05177 3/20 0.52
▸ CYP3A4 P08684 2/20 0.52
▸ LMNA P02545 2/20 0.52
▸ NPBWR1 P48145 5/20 0.52
▸ MCHR1 Q99705 3/20 0.52
▸ GRM1 Q13255 1/20 0.45
▸ CNR2 P34972 1/20 0.44
▸ PKM P14618 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ HTT P42858 2/20 0.43
▸ MITF O75030 1/20 0.43
▸ S1PR4 O95977 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ XBP1 P17861 1/20 0.43

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
SCHEMBL11785004 0.84 RAB9A (0.67) RAB9ANPC1PAX8SMN1; SMN2CYP1A2
SCHEMBL3033865 0.82 NPC1 (0.66) RAB9ANPC1PAX8SMN1; SMN2CYP1A2
SCHEMBL3031931 0.80 NPC1 (1.00) RAB9ANPC1PAX8SMN1; SMN2CYP1A2
SCHEMBL18446084 0.80 RAB9A (0.78) RAB9ANPC1PAX8SMN1; SMN2CYP1A2
SCHEMBL31277650 0.80 NPC1 (1.00) RAB9ANPC1PAX8SMN1; SMN2CYP1A2
SCHEMBL18445806 0.78 RAB9A (0.74) RAB9ANPC1PAX8SMN1; SMN2CYP1A2
SCHEMBL3028307 0.78 RAB9A (0.66) RAB9ANPC1PAX8SMN1; SMN2LMNA
SCHEMBL13219325 0.75 RAB9A (0.71) RAB9ANPC1PAX8SMN1; SMN2LMNA
SCHEMBL17057835 0.73 GRM1 (0.43) RAB9ANPC1PAX8SMN1; SMN2CYP3A4
SCHEMBL11729328 0.73 RAB9A (0.54) RAB9ANPC1PAX8SMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9562019-B2 Substituted pyridazines as EGFR and/or KRAS inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2017-02-07 — — US disclosed
US-9562019-B2 Substituted pyridazines as EGFR and/or KRAS inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2017-02-07 — — US disclosed
US-9562019-B2 Substituted pyridazines as EGFR and/or KRAS inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2017-02-07 — — US disclosed
EP-2518063-B1 Pyridazinones and furan-containing compounds SLOAN-KETTERING INST FOR CANCER RES (US) 2017-02-01 — — EP disclosed
EP-2518063-B1 Pyridazinones and furan-containing compounds SLOAN-KETTERING INST FOR CANCER RES (US) 2017-02-01 — — EP disclosed
EP-2099770-B1 PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS SLOAN KETTERING INST CANCER (US) 2015-06-10 — — EP disclosed
EP-2099770-B1 PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS SLOAN KETTERING INST CANCER (US) 2015-06-10 — — EP disclosed
US-20130131062-A1 PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS DJABALLAH HAKIM (US) 2013-05-23 — — US disclosed
US-20130131062-A1 PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS DJABALLAH HAKIM (US) 2013-05-23 — — US disclosed
US-20130131062-A1 PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS DJABALLAH HAKIM (US) 2013-05-23 — — US disclosed
WO-2008080056-A2 PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2008-07-03 — — WO disclosed
WO-2008080056-A2 PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2008-07-03 — — WO disclosed
US-20080121640-A1 DISPOSABLE CASSETTE FOR INCREMENTAL WITHDRAWAL OF TUBULAR PLASTIC WITH MALODOR-COUNTERACTANT CAPACITY EVEREADY BATTERY COMPANY, INC. 2008-05-29 — — US disclosed
US-20060249418-A1 Odor transmission-resistant polymeric film PLAYTEX PRODUCTS, INC. 2006-11-09 — — US disclosed
US-7100767-B2 Odor transmission-resistant polymeric film PLAYTEX PRODUCTS, INC. (US) 2006-09-05 — — US disclosed
EP-1497111-A1 ODOR TRANSMISSION-RESISTANT POLYMERIC FILM PLAYTEX PRODUCTS, INC. (US) 2005-01-19 — — EP disclosed
US-20030218022-A1 Odor transmission-resistant polymeric film BANK OF MONTREAL (CA) 2003-11-27 — — US disclosed
US-20030213804-A1 Disposable cassette for incremental withdrawal of tubular plastic with malodor-counteractant capacity PLAYTEX PRODUCTS, INC. 2003-11-20 — — US disclosed
WO-2003089312-A2 DISPOSABLE CASSETTE FOR INCREMENTAL WITHDRAWAL OF TUBULAR PLASTIC WITH MALODOR-COUNTERACTANT CAPACITY PLAYTEX PRODUCTS, INC. (US) 2003-10-30 — — WO disclosed
WO-2003089230-A1 ODOR TRANSMISSION-RESISTANT POLYMERIC FILM PLAYTEX PRODUCTS, INC. (US) 2003-10-30 — — 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 (1 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-20130131062-A1 PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS DPYD, PDXK, TYMP RAB9A 3655/4885NPC1 2857/4885PAX8 2327/4885

“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.

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