SCHEMBL21836242

SCHEMBL21836242

C/C(=N\C(c1ccccc1)c1ccccc1)c1nccs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RBBP9 O75884 5/20 0.51
CYP1A2 P05177 3/20 0.47
CYP2D6 P10635 3/20 0.47
CYP2C19 P33261 3/20 0.47
CASP3 P42574 2/20 0.47
SENP8 Q96LD8 2/20 0.47
SENP7 Q9BQF6 2/20 0.47
SENP6 Q9GZR1 2/20 0.47
KMT2A Q03164 2/20 0.45
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
ALDH1A1 P00352 2/20 0.43
NR3C1 P04150 3/20 0.41
MAPT P10636 1/20 0.40
MITF O75030 1/20 0.39
HSP90AA1 P07900 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
PLA2G4A P47712 1/20 0.38

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
SCHEMBL21836245 1.00 RBBP9 (0.51) RBBP9CYP1A2CYP2D6CYP2C19CASP3
SCHEMBL21836279 0.72 KDM4E (0.58) KMT2AMAOAMAOBALDH1A1MAPT
SCHEMBL21836280 0.72 KDM4E (0.58) KMT2AMAOAMAOBALDH1A1MAPT
SCHEMBL21836228 0.72 HCAR2 (0.42) CYP1A2CYP2C19ALDH1A1MAPTMITF
SCHEMBL1254922 0.72 ALDH1A1 (0.59) RBBP9CYP1A2CYP2D6CYP2C19CASP3
SCHEMBL21836209 0.71 FFAR2 (0.39) RBBP9CYP1A2CYP2C19KMT2AALDH1A1
SCHEMBL2948824 0.70
SCHEMBL13237108 0.70
SCHEMBL2948821 0.70
SCHEMBL21836260 0.70 LMNA (0.44) CYP1A2CYP2D6KMT2AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12129249-B2 Method for producing optically active compound DAY ONE BIOPHARMACEUTICALS, INC. (US) 2024-10-29 US disclosed
EP-4406609-A2 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND Day One Biopharmaceuticals, Inc. (US) 2024-07-31 EP disclosed
US-20210347769-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND DAY ONE BIOPHARMACEUTICALS, INC. 2021-11-11 US disclosed
US-20210347769-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND DAY ONE BIOPHARMACEUTICALS, INC. 2021-11-11 US disclosed
US-10988469-B2 Method for producing optically active compound DOT THERAPEUTICS-1, INC. (US) 2021-04-27 US disclosed
US-10988469-B2 Method for producing optically active compound DOT THERAPEUTICS-1, INC. (US) 2021-04-27 US disclosed
US-20200317659-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND DAY ONE BIOPHARMACEUTICALS, INC. 2020-10-08 US disclosed
US-20200317659-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND DAY ONE BIOPHARMACEUTICALS, INC. 2020-10-08 US disclosed
CN-111032047-A Process for producing optically active compound 千年制药公司 2020-04-17 CN disclosed
EP-3632441-A2 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND Millennium Pharmaceuticals, Inc. (US) 2020-04-08 EP disclosed
EP-3632441-A2 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND Millennium Pharmaceuticals, Inc. (US) 2020-04-08 EP 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 (4 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-10988469-B2 Method for producing optically active compound DHPS, QDPR, SPR RBBP9 1254/4885CYP1A2 1113/4885CYP2D6 484/4885
US-20200317659-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND DHPS, QDPR, SPR RBBP9 1254/4885CYP1A2 1113/4885CYP2D6 484/4885
US-12129249-B2 Method for producing optically active compound DHPS, QDPR, SPR RBBP9 1254/4885CYP1A2 1113/4885CYP2D6 484/4885
US-20210347769-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND DHPS, QDPR, SPR RBBP9 1254/4885CYP1A2 1113/4885CYP2D6 484/4885

“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.