SCHEMBL14707448

SCHEMBL14707448

CN1CCN(Cc2ccc(NC(=S)Nc3ccc(Cl)c(-c4nccc5ccccc45)c3)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.42
▸ TNIK Q9UKE5 1/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ LMNA P02545 3/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ FGFR1 P11362 1/20 0.41
▸ MAPK14 Q16539 2/20 0.41
▸ EGFR P00533 1/20 0.41
▸ LCK P06239 1/20 0.41
▸ CSF1R P07333 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ ERBB4 Q15303 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ METAP2 P50579 1/20 0.41
▸ CDK2 P24941 1/20 0.40
▸ FLT3 P36888 1/20 0.40
▸ CCNA1 P78396 1/20 0.40

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
SCHEMBL13552961 0.91 KMT2A (0.51) SMN1; SMN2LMNAMAPK1ALDH1A1TP53
SCHEMBL13552963 0.90 FAAH (0.43) SMN1; SMN2LMNAMAPK1ALDH1A1TP53
SCHEMBL13552960 0.89 ALDH1A1 (0.52) SMN1; SMN2LMNAMAPK1ALDH1A1TP53
SCHEMBL14707447 0.89 SMN1; SMN2 (0.41) ABL1SMN1; SMN2LMNAMAPK1ALDH1A1
SCHEMBL13552959 0.88 METAP2 (0.37) ABL1TNIKSMN1; SMN2LMNAMAPK1
SCHEMBL14707412 0.82 KDR (0.43) SMN1; SMN2ALDH1A1MAPTKDRKMT2A
SCHEMBL13552962 0.82 MAPT (0.38) SMN1; SMN2LMNAMAPK1ALDH1A1MAPT
SCHEMBL15502730 0.82 SMN1; SMN2 (0.43) SMN1; SMN2MAPK1ALDH1A1KMT2ACDK2
SCHEMBL14707420 0.82 KMT2A (0.51) SMN1; SMN2LMNAALDH1A1MAPTKMT2A
SCHEMBL13554746 0.81 NPC1 (0.47) SMN1; SMN2LMNAMAPK1ALDH1A1KMT2A

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-9345699-B2 Isoquinoline, quinoline, and quinazoline derivatives as inhibitors of hedgehog signaling NANTBIOSCIENCE, INC. (US) 2016-05-24 — — US disclosed
US-9345699-B2 Isoquinoline, quinoline, and quinazoline derivatives as inhibitors of hedgehog signaling NANTBIOSCIENCE, INC. (US) 2016-05-24 — — US disclosed
US-20140072630-A1 COMBINATION THERAPY WITH NANOPARTICLE COMPOSITIONS OF TAXANE AND HEDGEHOG INHIBITORS ABRAXIS BIOSCIENCE, LLC (US) 2014-03-13 — — US disclosed
US-20140072630-A1 COMBINATION THERAPY WITH NANOPARTICLE COMPOSITIONS OF TAXANE AND HEDGEHOG INHIBITORS ABRAXIS BIOSCIENCE, LLC (US) 2014-03-13 — — US disclosed
US-20130045240-A1 COMBINATION THERAPY WITH NANOPARTICLE COMPOSITIONS OF TAXANE AND HEDGEHOG INHIBITORS ABRAXIS BIOSCIENCE, LLC (US) 2013-02-21 — — US disclosed
US-20130045240-A1 COMBINATION THERAPY WITH NANOPARTICLE COMPOSITIONS OF TAXANE AND HEDGEHOG INHIBITORS ABRAXIS BIOSCIENCE, LLC (US) 2013-02-21 — — 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-20130045240-A1 COMBINATION THERAPY WITH NANOPARTICLE COMPOSITIONS OF TAXANE AND HEDGEHOG INHIBITORS SHH, GLI1, SMO ABL1 533/4885TNIK 877/4885SMN1; SMN2 1621/4885
US-20140072630-A1 COMBINATION THERAPY WITH NANOPARTICLE COMPOSITIONS OF TAXANE AND HEDGEHOG INHIBITORS SHH, GLI1, SMO ABL1 533/4885TNIK 877/4885SMN1; SMN2 1621/4885

“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.

Send feedback