SCHEMBL18237665

SCHEMBL18237665

CC(C)c1ccc2c(n1)CCNC2=O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.43
PARP10 Q53GL7 8/20 0.41
PARP11 Q9NR21 7/20 0.41
CYP1A2 P05177 1/20 0.41
PARP1 P09874 4/20 0.39
PDPK1 O15530 1/20 0.39
CDC7 O00311 2/20 0.38
ACHE P22303 1/20 0.38
PKN1 Q16512 1/20 0.38
PKN2 Q16513 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
KCNH2 Q12809 1/20 0.38
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 1/20 0.37

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
SCHEMBL25737805 0.83 MKNK2 (0.42) GRM5PARP1CDC7PIM1
SCHEMBL30130624 0.78 PARP10 (0.49) GRM5PARP10PARP11CYP1A2PARP1
SCHEMBL19153633 0.78 PARP10 (0.49) GRM5PARP10PARP11CYP1A2PARP1
SCHEMBL19766690 0.76 NISCH (0.32)
SCHEMBL23649631 0.75 GRM5 (0.46) GRM5PARP10PARP11CYP1A2PARP1
SCHEMBL3403552 0.75 GRM5 (0.46) GRM5PARP10PARP11CYP1A2PARP1
SCHEMBL10008839 0.75 ACHE (0.49) GRM5PARP10PARP11CYP1A2PARP1
SCHEMBL31501830 0.74 MAP4K1 (0.45) GRM5PARP10PARP11CYP1A2PARP1
SCHEMBL18237666 0.74 PARP10 (0.41) PARP10PARP11PARP1PDPK1CDC7
SCHEMBL10008159 0.74 GRM5 (0.53) GRM5PARP10PARP11CYP1A2PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230136194-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF Shanghai Simr Biotechnology Co., Ltd. (CN) 2023-05-04 US disclosed
US-20230136194-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF Shanghai Simr Biotechnology Co., Ltd. (CN) 2023-05-04 US disclosed
US-20230000993-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO INC (US) 2023-01-05 US disclosed
US-20190290771-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2019-09-26 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-20230136194-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF ABCG2, CYP4F8, CYP3A5 GRM5 2407/4885PARP10 3299/4885PARP11 1805/4885
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT GRM5 2711/4885PARP10 3647/4885PARP11 3284/4885
US-20190290771-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT GRM5 2711/4885PARP10 3647/4885PARP11 3284/4885
US-20230000993-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT GRM5 2711/4885PARP10 3647/4885PARP11 3284/4885

“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.