SCHEMBL1267013

SCHEMBL1267013

CNC1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 8/20 0.72
HTT P42858 4/20 0.72
KMT2A Q03164 8/20 0.60
MEN1 O00255 7/20 0.60
MAPT P10636 3/20 0.60
MAPK1 P28482 3/20 0.60
LMNA P02545 2/20 0.60
ALDH1A1 P00352 4/20 0.59
SMO Q99835 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.53
PKM P14618 2/20 0.53
TSHR P16473 1/20 0.53
GAA P10253 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
KDR P35968 1/20 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
SCHEMBL1267484 0.90 NPSR1 (0.59) NPSR1HTTKMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL1267654 0.89 NPSR1 (0.58) NPSR1HTTKMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL1268352 0.85 NPSR1 (0.54) NPSR1HTTKMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL1268477 0.85 NPSR1 (0.54) NPSR1HTTKMT2AMEN1MAPT
SCHEMBL2543726 0.85 NPSR1 (0.52) NPSR1HTTKMT2AMEN1MAPT
SCHEMBL20109685 0.82 KMT2A (0.60) NPSR1HTTKMT2AMEN1MAPT
SCHEMBL1267673 0.81 NPSR1 (0.74) NPSR1HTTKMT2AMEN1MAPT
SCHEMBL2126959 0.80 SMO (0.52) NPSR1HTTKMT2AMEN1MAPT
SCHEMBL3766571 0.80 NPSR1 (0.47) NPSR1HTTKMT2AMEN1MAPT
SCHEMBL12435127 0.80 SMO (0.61) NPSR1HTTKMT2AMEN1ALDH1A1

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
CN-102066353-B Disubstituted phthalazine Hedgehog pathway antagonists LILLY CO ELI 2013-12-11 CN disclosed
US-7981892-B2 Disubstituted phthalazine hedgehog pathway antagonists ELI LILLY AND COMPANY (US) 2011-07-19 US disclosed
CN-102066353-A Disubstituted phthalazine Hedgehog pathway antagonists LILLY CO ELI 2011-05-18 CN disclosed
EP-2294061-A2 DISUBSTITUTED PHTHALAZINE HEDGEHOG PATHWAY ANTAGONISTS Eli Lilly & Company (US) 2011-03-16 EP disclosed
US-20110046143-A1 DISUBSTITUTED PHTHALAZINE HEDGEHOG PATHWAY ANTAGONISTS ELI LILLY AND COMPANY (US) 2011-02-24 US disclosed
WO-2009134574-A2 DISUBSTITUTED PHTHALAZINE HEDGEHOG PATHWAY ANTAGONISTS ELI LILLY AND COMPANY (US) 2009-11-05 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-20110046143-A1 DISUBSTITUTED PHTHALAZINE HEDGEHOG PATHWAY ANTAGONISTS SHH, GLI1, SMO NPSR1 1903/4885HTT 1781/4885KMT2A 590/4885

“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.