SCHEMBL20073524

SCHEMBL20073524

CC(C)(C)c1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.81
MEN1 O00255 3/20 0.75
KMT2A Q03164 3/20 0.75
HTT P42858 1/20 0.75
RAB9A P51151 1/20 0.75
KCNK3 O14649 2/20 0.74
P2RX1 P51575 1/20 0.74
LMNA P02545 1/20 0.74
KCNK9 Q9NPC2 2/20 0.73
PTGS1 P23219 2/20 0.71
RXFP1 Q9HBX9 4/20 0.68
HDAC8 Q9BY41 2/20 0.66
HDAC6 Q9UBN7 2/20 0.66
HDAC3 O15379 1/20 0.66
TSHR P16473 1/20 0.64
POLB P06746 1/20 0.62
KCNQ3 O43525 1/20 0.60
KCNQ2 O43526 1/20 0.60
KCNE1 P15382 1/20 0.60
KCNQ1 P51787 1/20 0.60

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
SCHEMBL15603515 1.00 MAPT (0.81) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL4286068 0.93 MAPT (0.94) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL15603558 0.91 P2RX1 (0.69) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL15603559 0.90 HDAC8 (0.76) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL4656855 0.87 MAPT (0.78) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL17050937 0.87 KCNK3 (0.67) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL22024669 0.86 MAPT (0.76) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL12764063 0.86 MEN1 (1.00) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL22065210 0.86 MAPT (0.81) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL2853215 0.86 KCNK3 (0.79) MAPTMEN1KMT2AHTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11352354-B2 Substituted penta-fused hexa-heterocyclic compounds, preparation method therefor, drug combination and use thereof XIAMEN UNIVERSITY (CN) 2022-06-07 US disclosed
US-20200165246-A1 SUBSTITUTED PENTA-FUSED HEXA-HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, DRUG COMBINATION AND USE THEREOF XIAMEN UNIVERSITY (CN) 2020-05-28 US disclosed
US-10364247-B2 Preparation and use of novel protein kinase inhibitors RUIJIN HOSPITAL AFFILIATED TO SHANGHAI JIAO TONG UNIVERSITY SCHOOL OF MEDICINE (CN) 2019-07-30 US disclosed
US-20180105528-A1 PREPARATION AND USE OF NOVEL PROTEIN KINASE INHIBITORS BRANDEIS UNIVERSITY 2018-04-19 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 (4 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-10364247-B2 Preparation and use of novel protein kinase inhibitors MAP3K20, MAP3K19, MAP3K5 MAPT 2497/4885MEN1 2205/4885KMT2A 1776/4885
US-20180105528-A1 PREPARATION AND USE OF NOVEL PROTEIN KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K5 MAPT 2497/4885MEN1 2205/4885KMT2A 1776/4885
US-11352354-B2 Substituted penta-fused hexa-heterocyclic compounds, preparation method therefor, drug combination and use thereof PIKFYVE, PIK3CA, PIK3C2A MAPT 2459/4885MEN1 1829/4885KMT2A 1663/4885
US-20200165246-A1 SUBSTITUTED PENTA-FUSED HEXA-HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, DRUG COMBINATION AND USE THEREOF PIKFYVE, PIK3CA, PIK3C2A MAPT 2459/4885MEN1 1829/4885KMT2A 1663/4885

“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.