SCHEMBL19739146

SCHEMBL19739146

Cn1cc(-c2ccc(NC(=O)c3cc(N)cn3C)cc2)cc1C(=O)NCCCO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRAS P01112 6/20 0.41
▸ ESR1 P03372 6/20 0.41
▸ ESR2 Q92731 6/20 0.41
▸ TOP1 P11387 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ HDAC1 Q13547 3/20 0.36
▸ HDAC2 Q92769 3/20 0.36
▸ HDAC8 Q9BY41 3/20 0.36
▸ NAMPT P43490 1/20 0.36
▸ CCNC P24863 1/20 0.36
▸ CDK8 P49336 1/20 0.36
▸ IDO1 P14902 1/20 0.34
▸ TDO2 P48775 1/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34
▸ HDAC10 Q969S8 1/20 0.34

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
SCHEMBL19636867 0.86 HRAS (0.53) HRASESR1ESR2TOP1KDM4E
SCHEMBL19739126 0.86 HRAS (0.44) HRASESR1ESR2TOP1KDM4E
SCHEMBL20527335 0.85 LMNA (0.44) POLBMAPTCCNCCDK8IDO1
SCHEMBL25856520 0.85 TOP1 (0.40) HRASESR1ESR2TOP1KDM4E
SCHEMBL21451882 0.83 PTPN1 (0.46) POLBMAPTCCNCCDK8KMT2A
Hydrochloric Acid SCHEMBL20527158 0.82 PTPN1 (0.44) POLBMAPTCCNCCDK8KMT2A
SCHEMBL19739322 0.81 CD274 (0.46) HRASESR1ESR2TOP1KDM4E
SCHEMBL19753885 0.81 VDR (0.39) HRASESR1ESR2TOP1KDM4E
SCHEMBL18574371 0.81 RXFP1 (0.42) KDM4EMAPTCCNCCDK8KMT2A
Hydrochloric Acid SCHEMBL30944505 0.80 RXFP1 (0.41) KDM4EMAPTCCNCCDK8KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3475284-B1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF MERSANA THERAPEUTICS INC (US) 2022-11-02 — — EP disclosed
EP-3475284-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF Mersana Therapeutics, Inc. (US) 2019-05-01 — — EP disclosed
WO-2017223275-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF MERSANA THERAPEUTICS, INC. (US) 2017-12-28 — — WO disclosed
US-20170369453-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF MERSANA THERAPEUTICS, INC. 2017-12-28 — — US disclosed
US-20170369453-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF MERSANA THERAPEUTICS, INC. 2017-12-28 — — 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-20170369453-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF CD79B, CLTB, FCGR3B HRAS 2022/4885ESR1 3334/4885ESR2 3612/4885

“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.

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