SCHEMBL18237335

SCHEMBL18237335

CC(C)n1ncc2ccncc2c1=O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 5/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
HTR2B P41595 2/20 0.35
PDE1C Q14123 1/20 0.35
BPTF Q12830 1/20 0.35
KDM4C Q9H3R0 1/20 0.34
FEN1 P39748 1/20 0.34
KAT2B Q92831 2/20 0.34
ACACB O00763 2/20 0.33
ACACA Q13085 2/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL18237334 0.87 HASPIN (0.38) PDE9AALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL10072551 0.79 SMN1; SMN2 (0.51) PDE9AALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL18237502 0.77 ALDH1A1 (0.38) PDE9AALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL19152811 0.77 KAT2B (0.39) ALDH1A1SMN1; SMN2BPTFKDM4CFEN1
SCHEMBL14966529 0.75 CHEK1 (0.39) ALDH1A1CYP1A2CYP2C19SMN1; SMN2PDE1C
SCHEMBL17997563 0.75 DYRK1A (0.39) PDE9AHTR2AHTR2CHTR2BPDE1C
SCHEMBL24835489 0.74 HASPIN (0.34) PDE9AALDH1A1CYP1A2CYP2C19HTR2A
SCHEMBL15341744 0.73 HTR2A (0.44) HTR2AHTR2CHTR2BKDM4CFEN1
SCHEMBL18237503 0.72 ALDH1A1 (0.34) PDE9AALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL16339750 0.72 HDAC8 (0.47) PDE9AHTR2AHTR2CHTR2BPDE1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 PDE9A 3304/4885ALDH1A1 2151/4885CYP1A2 3086/4885

“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.