SCHEMBL81397

SCHEMBL81397

C=Cc1nc[nH]c1C(C)(C)Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 2/20 0.39
RAF1 P04049 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
TRPA1 O75762 1/20 0.37
CYP3A4 P08684 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TAAR1 Q96RJ0 2/20 0.36
SLC6A2 P23975 1/20 0.36
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 1/20 0.35

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
SCHEMBL80323 0.77 RAF1 (0.42) CYP2C9CYP2C19CYP1A2RAF1CDK1
SCHEMBL80769 0.75 RAF1 (0.43) CYP2C9CYP2C19CYP1A2RAF1CDK1
SCHEMBL7026770 0.63 TRPA1 (0.58) CYP2C9CYP2C19CYP1A2TRPA1CYP3A4
SCHEMBL1072575 0.62 SLC6A2 (0.52) CYP2C9CYP2C19CYP1A2TRPA1CYP3A4
SCHEMBL115909 0.61 TAAR1 (0.56) CYP2C9CYP2C19CYP1A2TRPA1CYP3A4
SCHEMBL4661772 0.61 SLC6A2 (0.61) CYP2C9CYP2C19CYP1A2TRPA1CYP3A4
SCHEMBL3466470 0.60 SMN1; SMN2 (0.45) TRPA1TAAR1SLC6A2LMNACYP2D6
SCHEMBL19703442 0.60
SCHEMBL22614877 0.60 TRPA1 (0.70) CYP2C9CYP2C19CYP1A2TRPA1CYP3A4
SCHEMBL17850638 0.59

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120277251-A1 ANALOGS OF DEHYDROPHENYLAHISTINS AND THEIR THERAPEUTIC USE NEREUS PHARMACEUTICALS, INC. (US) 2012-11-01 US disclosed
US-20120277251-A1 ANALOGS OF DEHYDROPHENYLAHISTINS AND THEIR THERAPEUTIC USE NEREUS PHARMACEUTICALS, INC. (US) 2012-11-01 US disclosed
US-8247552-B2 Analogs of dehydrophenylahistins and their therapeutic use NEREUS PHARMACEUTICALS, INC. (US) 2012-08-21 US disclosed
US-8247552-B2 Analogs of dehydrophenylahistins and their therapeutic use NEREUS PHARMACEUTICALS, INC. (US) 2012-08-21 US disclosed
US-8129527-B2 cancer and non-cancer diseases associated with vascular proliferation; mitoxantrone resistant, taxol resistant cancers NEREUS PHARMACUTICALS, INC. (US) 2012-03-06 US disclosed
US-8129527-B2 cancer and non-cancer diseases associated with vascular proliferation; mitoxantrone resistant, taxol resistant cancers NEREUS PHARMACUTICALS, INC. (US) 2012-03-06 US disclosed
US-20110245260-A1 ANALOGS OF DEHYDROPHENYLAHISTINS AND THEIR THERAPEUTIC USE NEREUS PHARMACEUTICALS, INC. (US) 2011-10-06 US disclosed
US-20110245260-A1 ANALOGS OF DEHYDROPHENYLAHISTINS AND THEIR THERAPEUTIC USE NEREUS PHARMACEUTICALS, INC. (US) 2011-10-06 US disclosed
US-7956058-B2 Dehydrophenylahistins and analogs thereof and the synthesis of dehydrophenylahistins and analogs thereof NEREUS PHARMACEUTICALS, INC. (US) 2011-06-07 US disclosed
US-7956058-B2 Dehydrophenylahistins and analogs thereof and the synthesis of dehydrophenylahistins and analogs thereof NEREUS PHARMACEUTICALS, INC. (US) 2011-06-07 US disclosed
US-7935704-B2 antiproliferative, antitumor agent; fungicide; inhibit eukaryotic cell cycle progression in M phase; rheumatoid arthritis, chronic articular rheumatism, psoriasis, diabetic retinopathy, neovascular glaucoma, retinopathy of prematurity, macular degeneration, corneal graft rejection, osteoporosis NEREUS PHARMACEUTICALS, INC. (US) 2011-05-03 US disclosed
US-7919497-B2 Analogs of dehydrophenylahistins and their therapeutic use NEREUS PHARMACEUTICALS, INC. (US) 2011-04-05 US disclosed
US-7919497-B2 Analogs of dehydrophenylahistins and their therapeutic use NEREUS PHARMACEUTICALS, INC. (US) 2011-04-05 US disclosed
US-7674903-B2 Dehydrophenylahistins and analogs thereof and the synthesis of dehydrophenylahistins and analogs thereof NEREUS PHARMACEUTICALS, INC. (US) 2010-03-09 US disclosed
US-7674903-B2 Dehydrophenylahistins and analogs thereof and the synthesis of dehydrophenylahistins and analogs thereof NEREUS PHARMACEUTICALS, INC. (US) 2010-03-09 US disclosed
US-20080221122-A1 ANALOGS OF DEHYDROPHENYLAHISTINS AND THEIR THEAPEUTIC USE BEYONDSPRING PHARMACEUTICALS, INC. 2008-09-11 US disclosed
US-20080221122-A1 ANALOGS OF DEHYDROPHENYLAHISTINS AND THEIR THEAPEUTIC USE BEYONDSPRING PHARMACEUTICALS, INC. 2008-09-11 US disclosed
US-20070078138-A1 Analogs of dehydrophenylahistins and their therapeutic use BEYONDSPRING PHARMACEUTICALS, INC. 2007-04-05 US disclosed
US-20070078138-A1 Analogs of dehydrophenylahistins and their therapeutic use BEYONDSPRING PHARMACEUTICALS, INC. 2007-04-05 US disclosed
WO-2007035841-A1 ANALOGS OF DEHYDROPHENYLAHISTINS AND THEIR THERAPEUTIC USE NEREUS PHARMACEUTICALS, INC. (US) 2007-03-29 WO 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 (4 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-20110245260-A1 ANALOGS OF DEHYDROPHENYLAHISTINS AND THEIR THERAPEUTIC USE MKI67, HPGDS, HCCS CYP2C9 4257/4885CYP2C19 3184/4885CYP1A2 2042/4885
US-20070078138-A1 Analogs of dehydrophenylahistins and their therapeutic use MKI67, HPGDS, HCCS CYP2C9 4257/4885CYP2C19 3184/4885CYP1A2 2042/4885
US-20080221122-A1 ANALOGS OF DEHYDROPHENYLAHISTINS AND THEIR THEAPEUTIC USE HPGDS, DHPS, HCCS CYP2C9 3869/4885CYP2C19 2655/4885CYP1A2 1594/4885
US-20120277251-A1 ANALOGS OF DEHYDROPHENYLAHISTINS AND THEIR THERAPEUTIC USE MKI67, HPGDS, HCCS CYP2C9 4257/4885CYP2C19 3184/4885CYP1A2 2042/4885

“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.