SCHEMBL3114838

SCHEMBL3114838

COc1ccc(N(C)c2nc(N)nc3cccc(CCCCN)c23)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB3 Q13509 3/20 0.47
▸ ABCB1 P08183 2/20 0.47
▸ DHFR P00374 7/20 0.47
▸ EGFR P00533 3/20 0.44
▸ PDGFRB P09619 3/20 0.44
▸ KDR P35968 3/20 0.44
▸ CSNK1A1 P48729 1/20 0.40
▸ CSNK1D P48730 1/20 0.40
▸ PRKCD Q05655 1/20 0.40
▸ PAK1 Q13153 1/20 0.40
▸ CAMK2B Q13554 1/20 0.40
▸ CAMK2G Q13555 1/20 0.40
▸ CAMK2D Q13557 1/20 0.40
▸ TAOK1 Q7L7X3 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ CASP14 P31944 1/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ CASP2 P42575 1/20 0.40
▸ CASP4 P49662 1/20 0.40
▸ CASP5 P51878 1/20 0.40

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
SCHEMBL3115073 0.92 TUBB3 (0.50) TUBB3ABCB1DHFREGFRPDGFRB
SCHEMBL3107648 0.90 TUBB3 (0.48) TUBB3ABCB1DHFREGFRPDGFRB
SCHEMBL3118924 0.88 ABCB1 (0.47) TUBB3ABCB1DHFREGFRPDGFRB
SCHEMBL3112443 0.87 TUBB3 (0.49) TUBB3ABCB1DHFREGFRPDGFRB
SCHEMBL3120807 0.87 TUBB3 (0.49) TUBB3ABCB1DHFREGFRPDGFRB
SCHEMBL3122059 0.87 TUBB3 (0.49) TUBB3ABCB1DHFREGFRPDGFRB
SCHEMBL3126711 0.87 TUBB3 (0.45) TUBB3ABCB1DHFREGFRPDGFRB
Trifluoroacetic Acid SCHEMBL3126704 0.83 TUBB3 (0.45) TUBB3ABCB1DHFREGFRPDGFRB
SCHEMBL3118718 0.81 DHFR (0.52) TUBB3DHFREGFRPDGFRBKDR
SCHEMBL3119122 0.80 TUBB3 (0.46) TUBB3ABCB1DHFREGFRPDGFRB

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-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-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

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 TUBB3 290/4885ABCB1 917/4885DHFR 426/4885
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX TUBB3 325/4885ABCB1 625/4885DHFR 482/4885

“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.

Send feedback