SCHEMBL13219331

SCHEMBL13219331

CN(C)c1c(Cl)cnn(-c2ccccc2)c1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.64
ALDH1A1 P00352 6/20 0.64
SMN1; SMN2 Q16637 5/20 0.64
NPC1 O15118 5/20 0.64
HTT P42858 4/20 0.64
PAX8 Q06710 4/20 0.64
MAPT P10636 4/20 0.64
S1PR4 O95977 2/20 0.64
S1PR1 P21453 2/20 0.64
THRB P10828 2/20 0.64
MITF O75030 1/20 0.64
XBP1 P17861 1/20 0.64
GAA P10253 1/20 0.61
CYP1A2 P05177 4/20 0.53
NPBWR1 P48145 4/20 0.53
NPSR1 Q6W5P4 3/20 0.53
CYP2C9 P11712 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2C19 P33261 1/20 0.53
MCHR1 Q99705 2/20 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
SCHEMBL8242807 0.84 RAB9A (0.59) RAB9AALDH1A1SMN1; SMN2NPC1HTT
SCHEMBL13219335 0.79 GAA (0.55) RAB9AALDH1A1SMN1; SMN2NPC1HTT
SCHEMBL13219991 0.79 ALDH1A1 (0.67) RAB9AALDH1A1SMN1; SMN2NPC1HTT
SCHEMBL1461789 0.78 RAB9A (1.00) RAB9AALDH1A1SMN1; SMN2NPC1HTT
SCHEMBL9397355 0.78 RAB9A (0.76) RAB9AALDH1A1SMN1; SMN2NPC1HTT
SCHEMBL3984192 0.76 RAB9A (0.70) RAB9AALDH1A1SMN1; SMN2NPC1HTT
SCHEMBL13219313 0.73 RAB9A (0.60) RAB9AALDH1A1SMN1; SMN2NPC1HTT
SCHEMBL11726417 0.73 RAB9A (0.69) RAB9AALDH1A1SMN1; SMN2NPC1HTT
SCHEMBL4167058 0.72 RAB9A (0.53) RAB9AALDH1A1SMN1; SMN2NPC1HTT
SCHEMBL1461679 0.72 GAA (0.74) RAB9AALDH1A1SMN1; SMN2NPC1HTT

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 6 patents. 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-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-20100210649-A1 PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2010-08-19 US disclosed
US-20100210649-A1 PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2010-08-19 US 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 (2 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 3655/4885ALDH1A1 761/4885SMN1; SMN2 1856/4885
US-20100210649-A1 PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS DPYD, PDXK, TYMP RAB9A 3655/4885ALDH1A1 761/4885SMN1; SMN2 1856/4885

“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.