SCHEMBL4104430

SCHEMBL4104430

Cc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1C#Cc1cncc2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.51
FGFR1 P11362 1/20 0.51
KDR P35968 1/20 0.51
FLT3 P36888 6/20 0.50
BRAF P15056 10/20 0.47
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL13771976 0.84 SMN1; SMN2 (0.53) SMN1; SMN2FLT3BRAFMEN1NPC1
SCHEMBL17936026 0.80 BRAF (0.54) SMN1; SMN2FLT3BRAFMEN1NPC1
SCHEMBL14020475 0.79 CSF1R (0.63) CSF1RFGFR1KDR
SCHEMBL589268 0.77 ABL1 (0.56) CSF1R
SCHEMBL15427119 0.75 FLT3 (0.80) CSF1RSMN1; SMN2FLT3MEN1NPC1
SCHEMBL15510671 0.75 ABL1 (0.50) CSF1RSMN1; SMN2FLT3BRAF
SCHEMBL15426982 0.75 NPC1 (0.70) SMN1; SMN2FLT3BRAFMEN1NPC1
SCHEMBL16644459 0.74 CSF1R (0.64) CSF1RFGFR1KDRFLT3BRAF
SCHEMBL9610746 0.74 ABL1 (0.50) SMN1; SMN2KDRFLT3BRAF
SCHEMBL590144 0.72 SMN1; SMN2 (0.57) SMN1; SMN2FLT3BRAFMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9090561-B2 Acetylenic heteroaryl compounds ARIAD PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
US-9090561-B2 Acetylenic heteroaryl compounds ARIAD PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
US-8461167-B2 Acetylenic heteroaryl compounds ARIAD PHARMACEUTICALS, INC. (US) 2013-06-11 US disclosed
US-8461167-B2 Acetylenic heteroaryl compounds ARIAD PHARMACEUTICALS, INC. (US) 2013-06-11 US disclosed
US-8461167-B2 Acetylenic heteroaryl compounds ARIAD PHARMACEUTICALS, INC. (US) 2013-06-11 US disclosed
US-20130018046-A1 Acetylenic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. (US) 2013-01-17 US disclosed
US-20090176781-A1 Acetylenic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. 2009-07-09 US disclosed
US-20090176781-A1 Acetylenic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. 2009-07-09 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-20090176781-A1 Acetylenic Heteroaryl Compounds NAT1, AADAC, ACACA CSF1R 3269/4885SMN1; SMN2 3919/4885FGFR1 3332/4885
US-20130018046-A1 Acetylenic Heteroaryl Compounds NAT1, AADAC, ACACA CSF1R 3269/4885SMN1; SMN2 3919/4885FGFR1 3332/4885

“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.