SCHEMBL13552959

SCHEMBL13552959

CN1CCN(CC2=CC=C(NC(=S)Nc3ccc(Cl)c(-c4nccc5ccccc45)c3)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 1/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ KDR P35968 6/20 0.36
▸ ABL1 P00519 2/20 0.36
▸ RAB9A P51151 2/20 0.35
▸ FGFR1 P11362 5/20 0.35
▸ MCHR1 Q99705 1/20 0.34
▸ TNIK Q9UKE5 1/20 0.34
▸ RET P07949 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ LCK P06239 1/20 0.33
▸ CSF1R P07333 1/20 0.33
▸ ERBB4 Q15303 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33

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
SCHEMBL13554742 0.91 FGFR1 (0.33) METAP2SMN1; SMN2MAPTTP53MAPK1
SCHEMBL13552956 0.91 MAPT (0.36) SMN1; SMN2LMNAMAPTTP53MAPK1
SCHEMBL14707448 0.88 ABL1 (0.42) METAP2SMN1; SMN2LMNAMAPTTP53
SCHEMBL13554685 0.81 HTR2C (0.33) —
SCHEMBL13552961 0.79 KMT2A (0.51) SMN1; SMN2LMNAMAPTTP53MAPK1
SCHEMBL13552963 0.78 FAAH (0.43) SMN1; SMN2LMNATP53MAPK1RAB9A
SCHEMBL14707447 0.77 SMN1; SMN2 (0.41) SMN1; SMN2LMNAMAPTTP53MAPK1
SCHEMBL13552960 0.77 ALDH1A1 (0.52) SMN1; SMN2LMNAMAPTTP53MAPK1
SCHEMBL13044300 0.76 FSCN1 (0.39) SMN1; SMN2LMNAMAPTKDRRAB9A
SCHEMBL14707412 0.76 KDR (0.43) SMN1; SMN2MAPTKDRRAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120270858-A1 Isoquinoline, quinoline, and quinazoline derivatives as inhibitors of hedgehog signaling CALIFORNIA CAPITAL EQUITY, LLC (US) 2012-10-25 — — 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-20120270858-A1 Isoquinoline, quinoline, and quinazoline derivatives as inhibitors of hedgehog signaling SHH, GLI1, SMO METAP2 3907/4885SMN1; SMN2 4323/4885LMNA 4456/4885

“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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