SCHEMBL13413779

SCHEMBL13413779

COc1ccc(N(C)c2nc(C)nc3ccc(N)cc23)cc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 8/20 0.51
▸ PDGFRB P09619 7/20 0.51
▸ KDR P35968 6/20 0.51
▸ PDGFRA P16234 3/20 0.48
▸ HDAC8 Q9BY41 4/20 0.47
▸ HDAC6 Q9UBN7 4/20 0.47
▸ HDAC11 Q96DB2 1/20 0.47
▸ TUBB3 Q13509 3/20 0.45
▸ TUBB4A P04350 2/20 0.45
▸ TUBB P07437 2/20 0.45
▸ TUBA3C P0DPH7 2/20 0.45
▸ TUBA1B P68363 2/20 0.45
▸ TUBA4A P68366 2/20 0.45
▸ TUBB4B P68371 2/20 0.45
▸ TUBB2A Q13885 2/20 0.45
▸ TUBB8 Q3ZCM7 2/20 0.45
▸ TUBA3E Q6PEY2 2/20 0.45
▸ TUBA1A Q71U36 2/20 0.45
▸ TUBA1C Q9BQE3 2/20 0.45
▸ TUBB6 Q9BUF5 2/20 0.45

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
SCHEMBL13413781 0.90 EGFR (0.60) EGFRPDGFRBKDRPDGFRAHDAC8
SCHEMBL3110955 0.85 EGFR (0.69) EGFRPDGFRBKDRPDGFRAHDAC8
SCHEMBL2256222 0.82 KDR (0.68) EGFRPDGFRBKDRPDGFRATUBB3
SCHEMBL3107580 0.82 EGFR (0.47) EGFRPDGFRBKDRPDGFRAHDAC8
SCHEMBL2255962 0.79 EGFR (0.53) EGFRPDGFRBKDRPDGFRAHDAC8
SCHEMBL13413782 0.78 KDR (0.47) EGFRPDGFRBKDRPDGFRATUBB3
SCHEMBL13413780 0.76 KDR (0.50) EGFRPDGFRBKDRPDGFRAHDAC8
SCHEMBL3113560 0.75 EGFR (0.49) EGFRPDGFRBKDRPDGFRAHDAC8
SCHEMBL3109780 0.75 PDGFRB (0.43) EGFRPDGFRBKDRPDGFRAHDAC8
SCHEMBL13413783 0.74 KDR (0.61) EGFRPDGFRBKDRPDGFRAHDAC8

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-20130029942-A1 COMPOUNDS AND THERAPEUTICAL USES THEREOF MYREXIS, INC. (US) 2013-01-31 — — US disclosed
US-20130029942-A1 COMPOUNDS AND THERAPEUTICAL USES THEREOF MYREXIS, INC. (US) 2013-01-31 — — US disclosed
US-8309562-B2 Compounds and therapeutical use thereof MYREXIS, INC. (US) 2012-11-13 — — US disclosed
US-8309562-B2 Compounds and therapeutical use thereof MYREXIS, INC. (US) 2012-11-13 — — US disclosed
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF Myriad Pharmaceuticals, Incorporated (US) 2010-03-18 — — US disclosed
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF Myriad Pharmaceuticals, Incorporated (US) 2010-03-18 — — 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-20130029942-A1 COMPOUNDS AND THERAPEUTICAL USES THEREOF BAD, CASP3, BAX EGFR 3147/4885PDGFRB 2783/4885KDR 3722/4885
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX EGFR 2648/4885PDGFRB 2627/4885KDR 3809/4885

“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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