SCHEMBL9913708

SCHEMBL9913708

CCCCNc1nc(NCCCC)nc(NC2CCCCC2)n1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 9/20 0.50
FLT3 P36888 8/20 0.50
TYRO3 Q06418 8/20 0.50
GAS6 Q14393 8/20 0.50
PDE4A P27815 1/20 0.49
AXL P30530 1/20 0.48
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
DNM2 P50570 1/20 0.44
ALDH1A1 P00352 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
SCHEMBL10345298 0.95 KMT2A (0.49) MERTKFLT3TYRO3GAS6PDE4A
SCHEMBL14725039 0.93 TLR7 (0.46) MERTKFLT3TYRO3GAS6PDE4A
SCHEMBL6920873 0.91 PDE4A (0.59) MERTKFLT3TYRO3GAS6PDE4A
SCHEMBL14522578 0.88 NPSR1 (0.44) MERTKFLT3TYRO3GAS6PDE4A
SCHEMBL8075603 0.84 KMT2A (0.40) MERTKFLT3TYRO3GAS6PDE4A
SCHEMBL14544597 0.83 KCNH3 (0.47) MERTKTYRO3GAS6PDE4ACTSS
SCHEMBL1087677 0.81 MERTK (0.45) MERTKFLT3TYRO3GAS6AXL
SCHEMBL30467037 0.81 MERTK (0.45) MERTKFLT3TYRO3GAS6AXL
Cyromazine SCHEMBL15992192 0.81 MERTK (0.47) MERTKFLT3TYRO3GAS6AXL
SCHEMBL8077213 0.79 KMT2A (0.41) MERTKFLT3TYRO3GAS6DNM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198387-B2 Proton-conducting compound and proton-conducting polymer NIPPON STEEL CHEMICAL CO., LTD. (JP) 2012-06-12 US disclosed
US-8198387-B2 Proton-conducting compound and proton-conducting polymer NIPPON STEEL CHEMICAL CO., LTD. (JP) 2012-06-12 US disclosed
US-20100063249-A1 PROTON-CONDUCTING COMPOUND AND PROTON-CONDUCTING POLYMER NIPPON STREEL CHEMICAL CO., LTD (JP) 2010-03-11 US disclosed
US-20100063249-A1 PROTON-CONDUCTING COMPOUND AND PROTON-CONDUCTING POLYMER NIPPON STREEL CHEMICAL CO., LTD (JP) 2010-03-11 US disclosed
EP-2078715-A1 PROTON CONDUCTING COMPOUND AND PROTON CONDUCTING POLYMER Nippon Steel Chemical Co., Ltd. (JP) 2009-07-15 EP 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-20100063249-A1 PROTON-CONDUCTING COMPOUND AND PROTON-CONDUCTING POLYMER HRH3, H1-3, H1-4 MERTK 3968/4885FLT3 1470/4885TYRO3 2621/4885

“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.