SCHEMBL22387458

SCHEMBL22387458

Cc1ccc(C#CC(C)(C)O)nc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TTBK1 Q5TCY1 4/20 0.41
CHUK O15111 6/20 0.41
LYN P07948 1/20 0.39
SRC P12931 1/20 0.39
BTK Q06187 1/20 0.39
GRM5 P41594 1/20 0.39
CCR1 P32246 1/20 0.39
CCR5 P51681 1/20 0.39
CCR8 P51685 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
NOS3 P29474 1/20 0.36
NOS2 P35228 1/20 0.36

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
SCHEMBL18034675 0.80 TTBK1 (0.43) TTBK1CHUK
SCHEMBL739722 0.80 GRM5 (0.47) TTBK1CHUKGRM5KMT2AATM
SCHEMBL8972795 0.80 TTBK1 (0.38) TTBK1CHUKKMT2A
SCHEMBL25486882 0.80 TTBK1 (0.38) TTBK1CHUKKMT2AATM
SCHEMBL4520127 0.80 TTBK1 (0.38) TTBK1CHUKKMT2AATM
SCHEMBL5545972 0.76 TTBK1 (0.43) TTBK1CHUKCCR1CCR5CCR8
SCHEMBL16673635 0.76 P4HA1 (0.46) GRM5
SCHEMBL24960004 0.76 GRM5 (0.36) CHUKGRM5CCR1CCR5CCR8
SCHEMBL4521359 0.75 MCHR1 (0.42) CHUK
SCHEMBL12295342 0.74 CCR1 (0.46) SRCBTKGRM5CCR1CCR5

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-20210139494-A1 HETEROCYCLIC RIP1 INHIBITORY COMPOUNDS RIGEL PHARMACEUTICALS, INC. (US) 2021-05-13 US disclosed
US-20200276180-A1 POLYCYCLIC COMPOUND ACTING AS IDO INHIBITOR AND/OR IDO-HDAC DUAL INHIBITOR HANGZHOU INNOGATE PHARMA CO., LTD (CN) 2020-09-03 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-20200276180-A1 POLYCYCLIC COMPOUND ACTING AS IDO INHIBITOR AND/OR IDO-HDAC DUAL INHIBITOR IDO1, HDAC1, HDAC2 TTBK1 2215/4885CHUK 109/4885LYN 3245/4885
US-20210139494-A1 HETEROCYCLIC RIP1 INHIBITORY COMPOUNDS RIPK1, RIPK2, RIPK3 TTBK1 867/4885CHUK 130/4885LYN 1661/4885

“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.