SCHEMBL13219632

SCHEMBL13219632

CN1CCN(Cc2ccc([N+](=O)[O-])o2)CC1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.64
▸ ALDH1A1 P00352 3/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ LMNA P02545 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ NPC1 O15118 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ MITF O75030 1/20 0.42
▸ CSF1R P07333 1/20 0.42
▸ CDK1 P06493 1/20 0.41
▸ CCNB1 P14635 1/20 0.41

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
SCHEMBL13219626 0.82 POLB (0.65) POLBALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7026444 0.82 POLB (0.57) POLBALDH1A1LMNAKDM4EMAPT
SCHEMBL31349278 0.81 POLB (0.57) POLBALDH1A1LMNAKDM4EMAPT
SCHEMBL13219627 0.80 POLB (0.70) POLBLMNAKDM4EMAPTL3MBTL1
SCHEMBL31349303 0.80 POLB (0.56) POLBALDH1A1KMT2AKDM4EMAPT
SCHEMBL31349220 0.80 POLB (0.56) POLBALDH1A1MEN1KMT2ALMNA
SCHEMBL31349231 0.80 POLB (0.56) POLBALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL31349269 0.78 POLB (0.60) POLBL3MBTL1
SCHEMBL31349251 0.78 POLB (0.60) POLBLMNAMAPTL3MBTL1
SCHEMBL31349290 0.78 POLB (0.60) POLBL3MBTL1

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 POLB 425/4885ALDH1A1 761/4885MEN1 506/4885
US-20100210649-A1 PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS DPYD, PDXK, TYMP POLB 425/4885ALDH1A1 761/4885MEN1 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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