SCHEMBL21157353

SCHEMBL21157353

C=C(c1c(C)c(C(=O)OC(C)C)cc2cc(C3=CCN(C(=O)OC(C)(C)C)CC3)cn12)N1CCOCC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.37
PDK4 Q16654 1/20 0.36
NAMPT P43490 1/20 0.36
CDK7 P50613 1/20 0.35
CDK13 Q14004 1/20 0.35
CDK12 Q9NYV4 1/20 0.35
GRM1 Q13255 9/20 0.35
GRM5 P41594 8/20 0.35
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP11B2 P19099 1/20 0.34
SCN9A Q15858 1/20 0.34
KIT P10721 1/20 0.34
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
HTR6 P50406 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
SCHEMBL21157311 0.86 EED (0.39) SOS1PDK4NAMPTCDK7CDK13
SCHEMBL21156537 0.84 ALDH1A1 (0.34) SMN1; SMN2
SCHEMBL21113284 0.80 RET (0.44)
SCHEMBL21157283 0.78 ALOX15 (0.41) SMN1; SMN2
SCHEMBL21113386 0.78 TBK1 (0.41)
SCHEMBL21113279 0.78 NAMPT (0.41) PDK4NAMPTGRM1GRM5CYP11B2
SCHEMBL21157291 0.77 EED (0.43) USP2SMN1; SMN2
SCHEMBL21156531 0.77 ALDH1A1 (0.40) USP2SMN1; SMN2
SCHEMBL21156563 0.77 ALDH1A1 (0.35) SMN1; SMN2
SCHEMBL21113181 0.77 LMNA (0.36)

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-10968215-B2 Pyrido five-element aromatic ring compound, preparation method therefor and use thereof SHANGHAI HAIHE PHARMACEUTICAL CO., LTD. (CN) 2021-04-06 US disclosed
US-20190211010-A1 PYRIDO FIVE-ELEMENT AROMATIC RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF HAIHE BIOPHARMA CO. LTD. (CN) 2019-07-11 US 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 (2 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-10968215-B2 Pyrido five-element aromatic ring compound, preparation method therefor and use thereof EZH2, IKZF2, SUZ12 SOS1 430/4885PDK4 938/4885NAMPT 947/4885
US-20190211010-A1 PYRIDO FIVE-ELEMENT AROMATIC RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF EZH2, IKZF2, SUZ12 SOS1 430/4885PDK4 938/4885NAMPT 947/4885

“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.