SCHEMBL22720338

SCHEMBL22720338

c1nc(N2CCNCC2)nc2c1CNCC2

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.76
POLB P06746 1/20 0.76
HTR2C P28335 5/20 0.43
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
HTR2A P28223 3/20 0.41
HRH1 P35367 1/20 0.41
CASP1 P29466 3/20 0.40
CYP1A2 P05177 2/20 0.40
TSHR P16473 2/20 0.40
CASP7 P55210 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TAAR1 Q96RJ0 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
ADRB1 P08588 1/20 0.40
USP2 O75604 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CASP4 P49662 1/20 0.39

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
SCHEMBL1020021 0.88 POLB (0.72) SMN1; SMN2POLBHTR2CALDH1A1KDM4E
SCHEMBL8898686 0.83 SMN1; SMN2 (0.54) SMN1; SMN2POLBHTR2CALDH1A1KDM4E
SCHEMBL25677916 0.83 HTR2C (0.56) SMN1; SMN2POLBHTR2CALDH1A1KDM4E
SCHEMBL28931394 0.82 POLB (0.68) SMN1; SMN2POLBHTR2CUSP2MAPT
Hydrochloric Acid SCHEMBL8898072 0.81 SMN1; SMN2 (0.52) SMN1; SMN2POLBHTR2CALDH1A1KDM4E
SCHEMBL4077172 0.81 POLB (0.67) SMN1; SMN2POLBHTR2CALDH1A1CASP1
Hydrochloric Acid SCHEMBL4259301 0.80 POLB (0.65) SMN1; SMN2POLBHTR2CALDH1A1HTR2A
SCHEMBL3380329 0.79 POLB (0.57) SMN1; SMN2POLBHTR2CHTR2AMAPT
SCHEMBL21326666 0.78 POLB (0.63) SMN1; SMN2POLBHTR2CHTR2ACYP3A4
SCHEMBL24920554 0.78 LMNA (0.50) SMN1; SMN2POLBALDH1A1CASP1CYP1A2

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-20230055672-A1 C40-, C28-, and C-32-Linked Rapamycin Analogs as mTOR Inhibitors WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-02-23 US disclosed
WO-2020239123-A1 AROMATIC HETEROCYCLIC DERIVATIVE MODULATOR AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2020-12-03 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-20230055672-A1 C40-, C28-, and C-32-Linked Rapamycin Analogs as mTOR Inhibitors MTOR, RICTOR, RPTOR SMN1; SMN2 2014/4885POLB 3444/4885HTR2C 3622/4885

“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.