SCHEMBL13219571

SCHEMBL13219571

O=C(Nc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccco1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 9/20 0.74
▸ NPC1 O15118 5/20 0.74
▸ MEN1 O00255 6/20 0.68
▸ KMT2A Q03164 6/20 0.68
▸ MAPT P10636 4/20 0.68
▸ HPGD P15428 3/20 0.68
▸ ALDH1A1 P00352 3/20 0.68
▸ HSD17B10 Q99714 2/20 0.68
▸ KDM4E B2RXH2 2/20 0.68
▸ CASP3 P42574 1/20 0.64
▸ SENP8 Q96LD8 1/20 0.64
▸ SENP7 Q9BQF6 1/20 0.64
▸ SENP6 Q9GZR1 1/20 0.64
▸ SMN1; SMN2 Q16637 4/20 0.63
▸ ALOX15 P16050 2/20 0.63
▸ HTT P42858 2/20 0.63
▸ TSHR P16473 1/20 0.63
▸ MAPK1 P28482 1/20 0.63
▸ ALOX12 P18054 1/20 0.60
▸ PTPN2 P17706 1/20 0.60

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
SCHEMBL6632968 0.85 RAB9A (1.00) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL23692573 0.81 KMT2A (1.00) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL13977274 0.80 RAB9A (0.64) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL2227567 0.79 MEN1 (0.76) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL15057349 0.79 RAB9A (0.69) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL5115718 0.79 RAB9A (0.69) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL11528802 0.79 RAB9A (1.00) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL10069465 0.78 F2R (0.72) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL15207580 0.78 KMT2A (0.58) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL14228391 0.78 JAK2 (0.69) RAB9ANPC1MEN1KMT2AMAPT

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 4 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-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 3655/4885NPC1 2857/4885MEN1 506/4885
US-20100210649-A1 PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS DPYD, PDXK, TYMP RAB9A 3655/4885NPC1 2857/4885MEN1 506/4885

“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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