SCHEMBL20249177

SCHEMBL20249177

CC(C)(C)c1ccc(CCC(=O)OO)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 1/20 0.40
CCR9 P51686 3/20 0.39
F2 P00734 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
TPSAB1 Q15661 1/20 0.37
TPSD1 Q9BZJ3 1/20 0.37
TPSG1 Q9NRR2 1/20 0.37
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
IDO1 P14902 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL15215450 0.83 P4HTM (0.58) P4HTMCCR9ALDH1A1LMNAL3MBTL1
SCHEMBL20249178 0.81 ALDH1A1 (0.47) P4HTMCCR9MEN1KMT2ATDP1
SCHEMBL20249198 0.77 HSD17B10 (0.49) P4HTMCCR9MEN1KMT2ATDP1
SCHEMBL5873485 0.75 DAO (0.43) P4HTMCYP3A4KCNH2
SCHEMBL15799967 0.75 TKT (0.42) CCR9CYP4F2CYP4A11MEN1KMT2A
SCHEMBL2949235 0.75 DAO (0.45) IDO1CYP3A4KCNH2
SCHEMBL16544500 0.73 SMN1; SMN2 (0.41) CCR9MEN1KMT2ATDP1KDM4E
SCHEMBL20037449 0.73 KDM4E (0.53) KDM4EALDH1A1LMNAMAPTBLM
SCHEMBL25245034 0.72 CYP4F2 (0.54) CYP4F2CYP4A11KMT2AALDH1A1LMNA
SCHEMBL31067871 0.72 CYP4F2 (0.54) CYP4F2CYP4A11KMT2AALDH1A1LMNA

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-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TEIJIN PHARMA LIMITED (JP) 2018-06-14 US disclosed
US-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TEIJIN PHARMA LIMITED (JP) 2018-06-14 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 (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-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF CDK4, CDK6, CDK16 P4HTM 1997/4885CCR9 2183/4885F2 3693/4885

“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.