SCHEMBL16010519

SCHEMBL16010519

CN1CCN(CCCNc2ccc3nc(C(N)CCN4CCN(C)CC4)c(-c4cc5ccccc5s4)n3n2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.39
PIK3R1 P27986 1/20 0.39
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
FGFR1 P11362 3/20 0.37
KDR P35968 3/20 0.37
RAD52 P43351 1/20 0.36
HTR1A P08908 1/20 0.35
TSHR P16473 1/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
HTR7 P34969 1/20 0.34
HTR6 P50406 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
NMT1 P30419 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
TACR2 P21452 4/20 0.33
SYK P43405 1/20 0.33
VCP P55072 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL16009507 0.79 PIK3CD (0.61) PIK3CDPIK3R1MAPK1HSD17B10FGFR1
SCHEMBL16009446 0.73 PIK3CD (0.46) PIK3CDPIK3R1MAPK1HSD17B10TSHR
SCHEMBL16016850 0.72 PIK3CD (0.47) PIK3CDPIK3R1
SCHEMBL16010337 0.70 JAK2 (0.40) PIK3CDPIK3R1MAPK1HSD17B10
SCHEMBL16009788 0.69 JAK2 (0.43) PIK3CDPIK3R1MAPK1HSD17B10HTR1A
SCHEMBL16010500 0.69 PIK3CD (0.43) PIK3CDPIK3R1
SCHEMBL3969427 0.67 IKBKB (0.53) FGFR1HTR2AHTR7HTR6IRAK4
SCHEMBL16010041 0.67 ADRA2A (0.48) HTR7HTR6HRH3TDP1
Hydrochloric Acid SCHEMBL3961561 0.67 IKBKB (0.52) FGFR1HTR2AHTR7HTR6IRAK4
SCHEMBL3963837 0.66 FGFR1 (0.44) FGFR1KDRIRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9370515-B2 Mixed lineage kinase inhibitors and method of treatments Califia Bio, Inc. (US) 2016-06-21 US disclosed
US-20140256733-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS Califia Bio, Inc. (US) 2014-09-11 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 (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-20140256733-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS MAP3K2, MAP3K1, MAP3K20 PIK3CD 316/4885PIK3R1 436/4885MAPK1 302/4885

“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.