SCHEMBL20616319

SCHEMBL20616319

COC(=O)c1ccc(-c2ccc(Br)cn2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.56
THRB P10828 1/20 0.53
MAPT P10636 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
RXFP1 Q9HBX9 1/20 0.50
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
MMP8 P22894 1/20 0.48
MMP13 P45452 1/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MAPK1 P28482 2/20 0.46
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
CA12 O43570 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44

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
SCHEMBL24975198 0.91 TP53 (0.56) TP53THRBMAPTSMN1; SMN2RXFP1
SCHEMBL10138104 0.87 MAPK1 (0.57) TP53MAPTSMN1; SMN2RXFP1KDM4E
SCHEMBL29598250 0.87 MAPK1 (0.61) TP53MAPTSMN1; SMN2RXFP1KDM4E
SCHEMBL2119508 0.84 TP53 (0.53) TP53THRBMAPTSMN1; SMN2RXFP1
SCHEMBL31145166 0.83 TDP1 (0.59) TP53MAPTSMN1; SMN2RXFP1KDM4E
SCHEMBL2345470 0.83 RXFP1 (0.55) TP53THRBMAPTSMN1; SMN2RXFP1
SCHEMBL18818444 0.83 CA1 (0.59) TP53MAPTSMN1; SMN2RXFP1KDM4E
SCHEMBL4469903 0.83 TDP1 (0.59) TP53MAPTSMN1; SMN2RXFP1KDM4E
SCHEMBL4468880 0.81 RXFP1 (0.66) TP53THRBMAPTSMN1; SMN2RXFP1
SCHEMBL2952102 0.81 MAPT (0.51) MAPTSMN1; SMN2RXFP1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11142527-B2 Dihydropyrimidine compounds and uses thereof in medicine SUNSHINE LAKE PHARMA CO., LTD. (CN) 2021-10-12 US disclosed
US-11142527-B2 Dihydropyrimidine compounds and uses thereof in medicine SUNSHINE LAKE PHARMA CO., LTD. (CN) 2021-10-12 US disclosed
CN-109111451-B Dihydropyrimidine compound and application thereof in medicine 广东东阳光药业有限公司 2020-08-11 CN disclosed
US-20200115381-A1 DIHYDROPYRIMIDINE COMPOUNDS AND USES THEREOF IN MEDICINE NORTH & SOUTH BROTHER PHARMACY INVESTMENT COMPANY LIMITED (CN) 2020-04-16 US disclosed
US-20200115381-A1 DIHYDROPYRIMIDINE COMPOUNDS AND USES THEREOF IN MEDICINE NORTH & SOUTH BROTHER PHARMACY INVESTMENT COMPANY LIMITED (CN) 2020-04-16 US disclosed
WO-2019001396-A1 DIHYDROPYRIMIDINE COMPOUNDS AND USES THEREOF IN MEDICINE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2019-01-03 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 (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-20200115381-A1 DIHYDROPYRIMIDINE COMPOUNDS AND USES THEREOF IN MEDICINE DPYD, SLC10A1, DHODH TP53 134/4885THRB 3227/4885MAPT 24/4885
US-11142527-B2 Dihydropyrimidine compounds and uses thereof in medicine DPYD, SLC10A1, DHODH TP53 134/4885THRB 3227/4885MAPT 24/4885

“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.