SCHEMBL3109780

SCHEMBL3109780

CCOc1ccc(N(C)c2nc(C)nc3ccc(Br)cc23)cc1F

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 5/20 0.43
▸ KDR P35968 5/20 0.43
▸ PDGFRA P16234 2/20 0.43
▸ HDAC1 Q13547 9/20 0.42
▸ HDAC8 Q9BY41 8/20 0.42
▸ HDAC6 Q9UBN7 8/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42
▸ PTGFR P43088 1/20 0.41
▸ EGFR P00533 5/20 0.41
▸ HDAC11 Q96DB2 1/20 0.41
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2E1 P05181 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ DHFR P00374 1/20 0.36

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
SCHEMBL3112464 0.86 PDGFRB (0.56) PDGFRBKDRPDGFRAHDAC1HDAC8
Hydrochloric Acid SCHEMBL3118525 0.85 PDGFRB (0.55) PDGFRBKDRPDGFRAHDAC1HDAC8
SCHEMBL13413779 0.75 EGFR (0.51) PDGFRBKDRPDGFRAHDAC1HDAC8
SCHEMBL3108338 0.75 KDR (0.68) PDGFRBKDRPDGFRAHDAC1HDAC8
SCHEMBL3109776 0.74 EGFR (0.45) PTGFREGFRHTT
SCHEMBL3109770 0.74 PTGFR (0.41) PTGFRCYP1A2ALDH1A1DHFR
SCHEMBL3110955 0.73 EGFR (0.69) PDGFRBKDRPDGFRAHDAC1HDAC8
SCHEMBL19789124 0.73 HDAC1 (0.68) PDGFRBKDRPDGFRAHDAC1HDAC8
SCHEMBL3118619 0.72 ABCG2 (0.42) PDGFRBKDRHDAC1HDAC8HDAC6
SCHEMBL3121536 0.72 ABCG2 (0.42) PDGFRBKDRHDAC1HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF Myriad Pharmaceuticals, Incorporated (US) 2010-03-18 — — US claimed
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-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-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
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 PDGFRB 2783/4885KDR 3722/4885PDGFRA 2373/4885
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX PDGFRB 2627/4885KDR 3809/4885PDGFRA 2330/4885

“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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