SCHEMBL16009446

SCHEMBL16009446

CCCCCNc1ccc2nc(C)c(-c3cc4ccccc4s3)n2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.46
PIK3R1 P27986 1/20 0.46
FYN P06241 8/20 0.36
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 2/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PTGDR Q13258 1/20 0.35
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.33
CCNT1 O60563 1/20 0.33
ABL1 P00519 1/20 0.33
PGK1 P00558 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
SCHEMBL16016850 0.91 PIK3CD (0.47) PIK3CDPIK3R1FYNALDH1A1PTGDR
SCHEMBL16010500 0.83 PIK3CD (0.43) PIK3CDPIK3R1RAB9ASMN1; SMN2PTGDR
SCHEMBL16010352 0.82 PIK3CD (0.67) PIK3CDPIK3R1FYNCCNT1ABL1
SCHEMBL16009786 0.75 MKNK1 (0.35) LMNAHTT
SCHEMBL16023611 0.74 MKNK1 (0.47) PIK3CDPIK3R1PIM1CDK2GSK3B
SCHEMBL16010171 0.74 MKNK1 (0.47) PIK3CDPIK3R1PIM1CDK2GSK3B
SCHEMBL16010430 0.73 IGF1R (0.41) FYNRAB9AALDH1A1HTTSMN1; SMN2
SCHEMBL16016962 0.73 S1PR1 (0.43) PIK3CDPIK3R1PGK1PIM1CDK2
SCHEMBL16010519 0.73 PIK3CD (0.39) PIK3CDPIK3R1MAPK1TSHRPOLB
SCHEMBL16009469 0.72 PIK3CD (0.68) PIK3CDPIK3R1FYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160228437-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS Califia Bio, Inc. 2016-08-11 US disclosed
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 (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-20160228437-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS MAP3K2, MAP3K1, MAP3K20 PIK3CD 316/4885PIK3R1 436/4885FYN 521/4885
US-20140256733-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS MAP3K2, MAP3K1, MAP3K20 PIK3CD 316/4885PIK3R1 436/4885FYN 521/4885

“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.