SCHEMBL18237486

SCHEMBL18237486

CC(C)c1ncc2ccsc2n1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
ADORA1 P30542 1/20 0.37
NTRK1 P04629 1/20 0.34
LTK P29376 1/20 0.34
TYRO3 Q06418 1/20 0.34
NTRK2 Q16620 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
ELANE P08246 1/20 0.31
TKT P29401 1/20 0.31
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30

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
SCHEMBL30918009 1.00 ADORA3 (0.37) ADORA3ADORA2AADORA2BADORA1NTRK1
SCHEMBL5468049 0.74 NTRK1 (0.30) NTRK1LTKTYRO3NTRK2CLK4
SCHEMBL743402 0.74 MAPK1 (0.39) NTRK1LTKTYRO3NTRK2CLK4
SCHEMBL15293635 0.72 ADORA3 (0.46) ADORA3ADORA2AADORA2BADORA1TKT
SCHEMBL19131856 0.71 XPO1 (0.32)
SCHEMBL18671569 0.69 NTRK1 (0.33) NTRK1LTKTYRO3NTRK2CLK4
SCHEMBL29994236 0.69 NTRK1 (0.41) ADORA2AADORA1NTRK1LTKTYRO3
SCHEMBL1160659 0.69 NTRK1 (0.41) ADORA2AADORA1NTRK1LTKTYRO3
SCHEMBL5463111 0.69 NTRK1 (0.33) NTRK1LTKTYRO3NTRK2CLK4
SCHEMBL857548 0.69 CLK4 (0.33) ADORA2AADORA1NTRK1LTKTYRO3

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-20230000993-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO INC (US) 2023-01-05 US disclosed
US-10654836-B2 Pyrimidine derivative, method for preparing same and use thereof in medicine ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2020-05-19 US disclosed
US-20190290771-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2019-09-26 US disclosed
US-20190161476-A1 Pyrimidine Derivative, Method For Preparing Same And Use Thereof In Medicine ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2019-05-30 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 (5 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-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT ADORA3 4145/4885ADORA2A 4582/4885ADORA2B 4655/4885
US-10654836-B2 Pyrimidine derivative, method for preparing same and use thereof in medicine FGFR4, FGFR1, FGFR2 ADORA3 883/4885ADORA2A 1131/4885ADORA2B 910/4885
US-20190290771-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT ADORA3 4145/4885ADORA2A 4582/4885ADORA2B 4655/4885
US-20230000993-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT ADORA3 4145/4885ADORA2A 4582/4885ADORA2B 4655/4885
US-20190161476-A1 Pyrimidine Derivative, Method For Preparing Same And Use Thereof In Medicine FGFR4, FGFR1, FGFR2 ADORA3 883/4885ADORA2A 1131/4885ADORA2B 910/4885

“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.