SCHEMBL1742938

SCHEMBL1742938

COc1ncnc2c1ncn2[C@H](C)[C@@H](O)CCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FLT4 P35916 1/20 0.49
KDR P35968 1/20 0.49
HPGD P15428 1/20 0.43
CCNB2 O95067 1/20 0.43
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43
CDK2 P24941 1/20 0.43
CCNB3 Q8WWL7 1/20 0.43
TAAR1 Q96RJ0 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
Hydrochloric Acid SCHEMBL1741396 1.00 FLT4 (0.49) FLT4KDRHPGDCCNB2CDK1
Hydrochloric Acid SCHEMBL1741379 0.88 FLT4 (0.51) FLT4KDR
SCHEMBL1741183 0.87 FLT4 (0.52) FLT4KDR
Hydrochloric Acid SCHEMBL1741160 0.84 ADORA2A (0.54)
SCHEMBL1740810 0.84 ADORA2A (0.54)
SCHEMBL11899822 0.81 FLT4 (0.41) FLT4KDRHPGDCCNB2CDK1
SCHEMBL11899641 0.81 FLT4 (0.41) FLT4KDRHPGDCCNB2CDK1
SCHEMBL11900999 0.80 PDE2A (0.55) CCNB2CDK1CCNB1CCNB3
SCHEMBL1742886 0.80 PDE2A (0.55) CCNB2CDK1CCNB1CCNB3
SCHEMBL11899223 0.77 FLT4 (0.41) FLT4KDRHPGDTAAR1

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-20120202287-A1 Stem Cell Culture Methods ITI SCOTLAND LIMITED (GB) 2012-08-09 US disclosed
EP-2389436-A2 STEM CELL CULTURE METHODS ITI Scotland Limited (GB) 2011-11-30 EP disclosed
US-20110257911-A1 SYSTEMS AND METHODS FOR DETECTING CHANGES IN ENERGY USAGE IN A BUILDING JOHNSON CONTROLS TECHNOLOGY COMPANY 2011-10-20 US disclosed
WO-2010084300-A2 STEM CELL CULTURE METHODS ITI SCOTLAND LIMITED (GB) 2010-07-29 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 (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-20120202287-A1 Stem Cell Culture Methods KIT, SOX18, MCL1 FLT4 3150/4885KDR 3274/4885HPGD 837/4885

“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.