SCHEMBL18237348

SCHEMBL18237348

CC(C)c1n[nH]c(=O)c2ccncc12

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
TSHR P16473 1/20 0.40
PARP1 P09874 5/20 0.39
PRMT5 O14744 4/20 0.39
WDR77 Q9BQA1 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
CYP1A2 P05177 1/20 0.37
KDM4C Q9H3R0 4/20 0.37
KDM4A O75164 2/20 0.37
KDM5C P41229 2/20 0.37
KDM4B O94953 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
KDM3A Q9Y4C1 1/20 0.37
KDM5A P29375 2/20 0.36
CSNK2A1 P68400 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KDM4E B2RXH2 1/20 0.35
KDM4D Q6B0I6 1/20 0.35

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
SCHEMBL18237493 0.93 POLB (0.45) POLBTSHRPARP1PRMT5WDR77
SCHEMBL18237399 0.79 POLB (0.42) POLBTSHRPARP1PRMT5WDR77
SCHEMBL1786764 0.79 POLB (0.68) POLBTSHRPARP1PRMT5SMN1; SMN2
SCHEMBL29480990 0.79 POLB (0.68) POLBTSHRPARP1PRMT5SMN1; SMN2
SCHEMBL2611038 0.77 CHUK (0.39) PARP1SMN1; SMN2KDM5AKDM4E
SCHEMBL12430413 0.77 ACHE (0.39) PARP1
SCHEMBL19153584 0.77 PRMT5 (0.44) POLBPARP1PRMT5WDR77CYP1A2
SCHEMBL18237606 0.75 POLB (0.41) POLBTSHRPRMT5WDR77SMN1; SMN2
SCHEMBL19902659 0.75 PRMT5 (0.42) TSHRPARP1PRMT5WDR77KDM4C
SCHEMBL19153845 0.74 PARP1 (0.45) PARP1PRMT5WDR77CYP1A2KDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230000993-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO INC (US) 2023-01-05 US disclosed
US-10730858-B2 Lactam, cyclic urea and carbamate, and triazolone derivatives as potent and selective rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-04 US disclosed
US-20190300510-A1 LACTAM, CYCLIC UREA AND CARBAMATE, AND TRIAZOLONE DERIVATIVES AS POTENT AND SELECTIVE ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-10-03 US disclosed
US-9931407-B2 Silicon based drug conjugates and methods of using same BLINKBIO, INC. (US) 2018-04-03 US disclosed
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2017-07-20 US disclosed
WO-2016183359-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. (US) 2016-11-17 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 (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-20190300510-A1 LACTAM, CYCLIC UREA AND CARBAMATE, AND TRIAZOLONE DERIVATIVES AS POTENT AND SELECTIVE ROCK INHIBITORS MYLK, ROCK1, ROCK2 POLB 3510/4885TSHR 2309/4885PARP1 1082/4885
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT POLB 3269/4885TSHR 2393/4885PARP1 2195/4885
US-20230000993-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT POLB 3269/4885TSHR 2393/4885PARP1 2195/4885
US-10730858-B2 Lactam, cyclic urea and carbamate, and triazolone derivatives as potent and selective rock inhibitors MYLK, ROCK1, MYLK2 POLB 3390/4885TSHR 2273/4885PARP1 914/4885

“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.