SCHEMBL13219453

SCHEMBL13219453

CN1CCN(c2cnn(-c3ccc(Cl)cc3)c(=O)c2Cl)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.59
DCTPP1 Q9H773 4/20 0.59
MAPT P10636 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.57
POLB P06746 3/20 0.57
LMNA P02545 1/20 0.57
KMT2A Q03164 1/20 0.57
CA12 O43570 5/20 0.57
CA1 P00915 5/20 0.57
CA2 P00918 5/20 0.57
CA9 Q16790 5/20 0.57
NPC1 O15118 1/20 0.51
GAA P10253 1/20 0.51
RAB9A P51151 1/20 0.51
RXFP1 Q9HBX9 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
PPARG P37231 1/20 0.47
NCOA2 Q15596 1/20 0.47
NCOA1 Q15788 1/20 0.47

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
SCHEMBL11943538 0.90 ALDH1A1 (0.62) ALDH1A1DCTPP1MAPTSMN1; SMN2POLB
SCHEMBL11943534 0.89 ALDH1A1 (0.73) ALDH1A1DCTPP1MAPTSMN1; SMN2POLB
SCHEMBL11943537 0.86 POLB (0.64) ALDH1A1DCTPP1MAPTSMN1; SMN2POLB
SCHEMBL4673039 0.85 ALDH1A1 (0.82) ALDH1A1DCTPP1MAPTSMN1; SMN2POLB
SCHEMBL4672611 0.85 DCTPP1 (0.64) ALDH1A1DCTPP1MAPTSMN1; SMN2KMT2A
SCHEMBL4675758 0.84 CA12 (0.56) ALDH1A1DCTPP1MAPTSMN1; SMN2POLB
SCHEMBL4670530 0.83 DCTPP1 (0.65) ALDH1A1DCTPP1MAPTSMN1; SMN2POLB
SCHEMBL11946121 0.82 ALDH1A1 (0.51) ALDH1A1DCTPP1MAPTSMN1; SMN2POLB
SCHEMBL4937843 0.80 DCTPP1 (0.58) ALDH1A1DCTPP1MAPTSMN1; SMN2CA12
SCHEMBL14221005 0.80 DCTPP1 (0.64) ALDH1A1DCTPP1MAPTSMN1; SMN2LMNA

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 ALDH1A1 761/4885DCTPP1 611/4885MAPT 2862/4885
US-20100210649-A1 PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS DPYD, PDXK, TYMP ALDH1A1 761/4885DCTPP1 611/4885MAPT 2862/4885

“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.