SCHEMBL1267484

SCHEMBL1267484

CNC1CCN(c2nnc(-c3ccc(F)cc3)c3ccccc23)CC1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 8/20 0.59
KMT2A Q03164 8/20 0.59
MEN1 O00255 7/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
HTT P42858 4/20 0.59
MAPK1 P28482 3/20 0.58
MAPT P10636 3/20 0.58
LMNA P02545 1/20 0.58
SMO Q99835 3/20 0.55
ALDH1A1 P00352 3/20 0.52
PKM P14618 2/20 0.49
ESR1 P03372 1/20 0.48
TSHR P16473 1/20 0.48

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
Hydrochloric Acid SCHEMBL1267654 0.99 NPSR1 (0.58) NPSR1KMT2AMEN1SMN1; SMN2HTT
SCHEMBL1267013 0.90 NPSR1 (0.72) NPSR1KMT2AMEN1SMN1; SMN2HTT
Hydrochloric Acid SCHEMBL1268477 0.86 NPSR1 (0.54) NPSR1KMT2AMEN1SMN1; SMN2HTT
SCHEMBL1268634 0.84 NPSR1 (0.56) NPSR1KMT2AMEN1SMN1; SMN2HTT
SCHEMBL2337332 0.84 SMO (0.47) NPSR1KMT2AMEN1SMN1; SMN2HTT
Hydrochloric Acid SCHEMBL1268352 0.83 NPSR1 (0.54) NPSR1KMT2AMEN1SMN1; SMN2HTT
SCHEMBL1267418 0.83 NPSR1 (0.59) NPSR1KMT2AMEN1SMN1; SMN2HTT
SCHEMBL1268636 0.82 NPSR1 (0.59) NPSR1KMT2AMEN1SMN1; SMN2HTT
SCHEMBL12435101 0.81 SMO (0.65) NPSR1KMT2AMEN1SMN1; SMN2HTT
SCHEMBL1268633 0.81 NPSR1 (0.57) NPSR1KMT2AMEN1SMN1; SMN2HTT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7981892-B2 Disubstituted phthalazine hedgehog pathway antagonists ELI LILLY AND COMPANY (US) 2011-07-19 US disclosed
US-7981892-B2 Disubstituted phthalazine hedgehog pathway antagonists ELI LILLY AND COMPANY (US) 2011-07-19 US 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
US-20110046143-A1 DISUBSTITUTED PHTHALAZINE HEDGEHOG PATHWAY ANTAGONISTS ELI LILLY AND COMPANY (US) 2011-02-24 US 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 1903/4885KMT2A 590/4885MEN1 2224/4885

“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.