SCHEMBL20706102

SCHEMBL20706102

c1ccc(-c2nc(-c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)nc(-c3ccc(-c4cccc5c4sc4ccc(-c6ccc7sc8c(-c9ccc(-c%10nc(-c%11ccccc%11)nc(-c%11ccc(-c%12cccc%13c%12sc%12ccccc%12%13)cc%11)n%10)cc9)cccc8c7c6)cc45)cc3)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.51
LIMK1 P53667 4/20 0.42
PIM3 Q86V86 2/20 0.41
PIM1 P11309 2/20 0.38
PIM2 Q9P1W9 2/20 0.38
PARP14 Q460N5 1/20 0.37
PRKDC P78527 3/20 0.37
TNKS O95271 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
F9 P00740 1/20 0.36
MAPT P10636 1/20 0.36
GPR3 P46089 1/20 0.36
CYP1A2 P05177 1/20 0.36
SLC9A1 P19634 1/20 0.36
ROCK1 Q13464 1/20 0.36
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
PIK3CD O00329 1/20 0.34
PIK3CB P42338 1/20 0.34

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
SCHEMBL15501745 1.00 ALOX5 (0.51) ALOX5LIMK1PIM3PIM1PIM2
SCHEMBL22701871 0.99 ALOX5 (0.50) ALOX5LIMK1PIM3PIM1PIM2
SCHEMBL22701826 0.97 ALOX5 (0.49) ALOX5LIMK1PIM3PIM1PIM2
SCHEMBL21446905 0.96 ALOX5 (0.48) ALOX5LIMK1PIM3PIM1PIM2
SCHEMBL25851906 0.96 ALOX5 (0.48) ALOX5LIMK1PIM3PIM1PIM2
SCHEMBL17425650 0.96 ALOX5 (0.48) ALOX5LIMK1PIM3PIM1PIM2
SCHEMBL25851923 0.95 ALOX5 (0.47) ALOX5LIMK1PIM3PIM1PIM2
SCHEMBL22701804 0.95 ALOX5 (0.47) ALOX5LIMK1PIM3PIM1PIM2
SCHEMBL15501996 0.95 ALOX5 (0.49) ALOX5LIMK1PIM3PIM1PIM2
SCHEMBL22701818 0.95 ALOX5 (0.52) ALOX5LIMK1PIM3PIM1PIM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10199580-B2 Aromatic heterocyclic derivative, material for organic electroluminescent element, and organic electroluminescent element IDEMITSU KOSAN CO., LTD. (JP) 2019-02-05 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-10199580-B2 Aromatic heterocyclic derivative, material for organic electroluminescent element, and organic electroluminescent element RER1, L1CAM, ESR1 ALOX5 3879/4885LIMK1 382/4885PIM3 3117/4885

“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.