SCHEMBL14014122

SCHEMBL14014122

Cc1cccc(NC(=O)Nc2ccc3c(c2)CCC3)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 16/20 1.00
RAB9A P51151 16/20 1.00
POLB P06746 5/20 0.76
MEN1 O00255 3/20 0.73
KMT2A Q03164 3/20 0.73
CASP3 P42574 3/20 0.70
SENP7 Q9BQF6 3/20 0.70
ALDH1A1 P00352 1/20 0.59
MAPT P10636 1/20 0.59
NFKB1 P19838 1/20 0.59
NFKB2 Q00653 1/20 0.59
RELA Q04206 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
SAE1 Q9UBE0 1/20 0.58
UBA2 Q9UBT2 1/20 0.58
TDP1 Q9NUW8 1/20 0.58

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
SCHEMBL4112777 0.86 NPC1 (1.00) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL31054230 0.84 NPC1 (1.00) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL4115937 0.84 NPC1 (1.00) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL4117367 0.84 NPC1 (1.00) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL11961607 0.83 NPC1 (0.71) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL4111143 0.82 NPC1 (1.00) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL4416620 0.82 SMN1; SMN2 (0.77) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL29703055 0.82 SMN1; SMN2 (0.77) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL21032814 0.81 NPC1 (0.68) NPC1RAB9APOLBMEN1KMT2A
Hydrochloric Acid SCHEMBL1190183 0.81 NPC1 (0.68) NPC1RAB9APOLBMEN1KMT2A

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
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF ADAMS JERRY LEROY 2008-11-20 US disclosed
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF ADAMS JERRY LEROY 2008-11-20 US disclosed
US-7427623-B2 4-Amino-2,3-disubstituted thieno[2,3-d]pyrimidines and pharmacetical compositions thereof SMITHKLINE BEECHAM CORPORATION (US) 2008-09-23 US disclosed
US-7427623-B2 4-Amino-2,3-disubstituted thieno[2,3-d]pyrimidines and pharmacetical compositions thereof SMITHKLINE BEECHAM CORPORATION (US) 2008-09-23 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-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR NPC1 4782/4885RAB9A 4166/4885POLB 1327/4885

“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.