SCHEMBL1267673

SCHEMBL1267673

NC1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 7/20 0.74
HTT P42858 4/20 0.74
ALDH1A1 P00352 4/20 0.64
KMT2A Q03164 6/20 0.60
MEN1 O00255 5/20 0.60
MAPT P10636 3/20 0.60
MAPK1 P28482 3/20 0.60
LMNA P02545 2/20 0.60
SMO Q99835 2/20 0.57
GAA P10253 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.53
PKM P14618 1/20 0.53
TSHR P16473 1/20 0.53
CKS1B P61024 1/20 0.52
SKP1 P63208 1/20 0.52
SKP2 Q13309 1/20 0.52
KDR P35968 2/20 0.52

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
SCHEMBL1267418 0.89 NPSR1 (0.59) NPSR1HTTALDH1A1KMT2AMEN1
SCHEMBL1268380 0.84 NPSR1 (0.68) NPSR1HTTALDH1A1KMT2AMEN1
SCHEMBL1267013 0.81 NPSR1 (0.72) NPSR1HTTALDH1A1KMT2AMEN1
SCHEMBL23248771 0.78 SSTR2 (0.51) NPSR1HTTALDH1A1LMNACKS1B
SCHEMBL13181182 0.78 KMT2A (0.66) NPSR1HTTALDH1A1KMT2AMEN1
SCHEMBL2278171 0.78 ALDH1A1 (0.68) NPSR1HTTALDH1A1KMT2AMEN1
SCHEMBL16269513 0.78 ALDH1A1 (0.59) NPSR1HTTALDH1A1KMT2AMEN1
SCHEMBL3779932 0.77 SMO (0.54) NPSR1HTTKMT2AMEN1MAPT
Isophthalic Acid SCHEMBL28790907 0.77 SMO (0.57) NPSR1HTTKMT2AMEN1MAPT
SCHEMBL12435127 0.75 SMO (0.61) NPSR1HTTALDH1A1KMT2AMEN1

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
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
US-20110046143-A1 DISUBSTITUTED PHTHALAZINE HEDGEHOG PATHWAY ANTAGONISTS ELI LILLY AND COMPANY (US) 2011-02-24 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 (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 1781/4885ALDH1A1 2679/4885

“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.