SCHEMBL681827

SCHEMBL681827

OCc1cc2c(nc1-c1ccccc1F)CCC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.48
TP53 P04637 3/20 0.38
LMNA P02545 2/20 0.38
POLB P06746 2/20 0.38
MAPT P10636 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 2/20 0.37
PDCD1 Q15116 2/20 0.35
CD274 Q9NZQ7 2/20 0.35
ADORA2A P29274 1/20 0.35
MBNL1 Q9NR56 1/20 0.35
DHODH Q02127 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL681824 0.86 PIK3CD (0.46) PIK3CDTP53LMNAPOLBMAPT
SCHEMBL682025 0.70 PIK3CD (0.72) PIK3CD
SCHEMBL10378158 0.68 ADORA2A (0.48) ADORA2A
SCHEMBL681844 0.68 SMN1; SMN2 (0.47) POLBALDH1A1MAPK1SMN1; SMN2KDM4E
SCHEMBL1598116 0.68 PIK3CD (0.49) PIK3CDMBNL1MEN1KMT2A
SCHEMBL4171072 0.68 PIK3CD (0.42) PIK3CDALDH1A1KDM4EADORA2AMBNL1
SCHEMBL14698472 0.66 NPC1 (0.40) LMNAMAPTALDH1A1MAPK1SMN1; SMN2
SCHEMBL10379060 0.65 ALDH1A1 (0.46) LMNAPOLBALDH1A1KDM4EADORA2A
SCHEMBL3833449 0.65 KDM4E (0.39) MAPTALDH1A1SMN1; SMN2KDM4EPDCD1
SCHEMBL7910272 0.64 SLC9A1 (0.48) TP53LMNAMAPTALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9790228-B2 Heterocyclic kinase inhibitors INTELLIKINE LLC (US) 2017-10-17 US disclosed
US-9790228-B2 Heterocyclic kinase inhibitors INTELLIKINE LLC (US) 2017-10-17 US disclosed
US-20160168157-A1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE LLC 2016-06-16 US disclosed
US-20160168157-A1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE LLC 2016-06-16 US disclosed
US-9296742-B2 Heterocyclic kinase inhibitors INTELLIKINE LLC (US) 2016-03-29 US disclosed
US-9296742-B2 Heterocyclic kinase inhibitors INTELLIKINE LLC (US) 2016-03-29 US disclosed
US-20140206685-A1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE LLC (US) 2014-07-24 US disclosed
US-20140206685-A1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE LLC (US) 2014-07-24 US disclosed
US-20110281866-A1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE, INC. (US) 2011-11-17 US disclosed
WO-2010036380-A1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE, INC. (US) 2010-04-01 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 (3 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-20160168157-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K13, MAP3K3, CDK3 PIK3CD 147/4885TP53 409/4885LMNA 1130/4885
US-20140206685-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K13, MAP3K3, CDK3 PIK3CD 147/4885TP53 409/4885LMNA 1130/4885
US-20110281866-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K13, MAP3K3, CDK3 PIK3CD 147/4885TP53 409/4885LMNA 1130/4885

“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.