SCHEMBL5579172

SCHEMBL5579172

COc1ccc(N(C)c2ncnc3c(C)csc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB3 Q13509 7/20 0.53
EGFR P00533 7/20 0.53
KDR P35968 7/20 0.53
PDGFRB P09619 6/20 0.53
TUBB4A P04350 5/20 0.53
TUBB P07437 5/20 0.53
TUBA3C P0DPH7 5/20 0.53
TUBA1B P68363 5/20 0.53
TUBA4A P68366 5/20 0.53
TUBB4B P68371 5/20 0.53
TUBB2A Q13885 5/20 0.53
TUBB8 Q3ZCM7 5/20 0.53
TUBA3E Q6PEY2 5/20 0.53
TUBA1A Q71U36 5/20 0.53
TUBA1C Q9BQE3 5/20 0.53
TUBB6 Q9BUF5 5/20 0.53
TUBB2B Q9BVA1 5/20 0.53
TUBB1 Q9H4B7 5/20 0.53
MAPK1 P28482 1/20 0.50
DYRK1A Q13627 1/20 0.43

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
SCHEMBL5579272 0.82 TUBB3 (0.53) TUBB3EGFRKDRPDGFRBTUBB4A
SCHEMBL5579178 0.79 TUBB3 (0.60) TUBB3EGFRKDRPDGFRBTUBB4A
SCHEMBL5579136 0.76 TUBB4A (0.64) TUBB3EGFRKDRPDGFRBTUBB4A
SCHEMBL21823045 0.74 MAPK1 (0.63) MAPK1LPAR1LPAR2
SCHEMBL4783688 0.73 EGFR (0.49) TUBB3EGFRKDRPDGFRBTUBB4A
SCHEMBL5579174 0.70 RAB9A (0.62) TUBB3EGFRKDRPDGFRBTUBB4A
SCHEMBL5579326 0.70 CSF1R (0.50) TUBB3EGFRKDRPDGFRBTUBB4A
SCHEMBL3123888 0.69 KDR (1.00) TUBB3EGFRKDRPDGFRBTUBB4A
SCHEMBL13920413 0.69 NPC1 (0.47) MAPK1LPAR1LPAR2
SCHEMBL5579341 0.68 EGFR (0.56) TUBB3EGFRKDRPDGFRBTUBB4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070213305-A1 N-alkyl-N-aryl-thienopyrimidin-4-amines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2007-09-13 US claimed
US-20070213305-A1 N-alkyl-N-aryl-thienopyrimidin-4-amines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2007-09-13 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-20070213305-A1 N-alkyl-N-aryl-thienopyrimidin-4-amines and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP10, CASP4, CASP3 TUBB3 1358/4885EGFR 1334/4885KDR 2253/4885

“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.