SCHEMBL20796305

SCHEMBL20796305

CCOC(=O)Nc1ccc2c(c1)CN(C(=O)c1cc(N)cn1C)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ USP2 O75604 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ NAMPT P43490 3/20 0.40
▸ TSHR P16473 2/20 0.40
▸ NR1I3 Q14994 4/20 0.40
▸ GRIN2D O15399 1/20 0.40
▸ GRIN3B O60391 1/20 0.40

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
SCHEMBL19633055 0.88 NAMPT (0.38) KMT2AMEN1NAMPT
SCHEMBL19632861 0.79 AGPAT2 (0.39) KMT2AMEN1LMNANAMPT
SCHEMBL19614928 0.74 NAMPT (0.42) NAMPTNR1I3
SCHEMBL19636657 0.73 DRD2 (0.38) NAMPTNR1I3
SCHEMBL13520223 0.70 MAPT (0.57) KMT2AMEN1LMNANPC1CYP1A2
Hydrochloric Acid SCHEMBL30944564 0.68 MEN1 (0.41) KMT2AMEN1LMNANPC1RAB9A
Hydrochloric Acid SCHEMBL20515041 0.68 MAPT (0.52) KMT2AMEN1LMNANPC1HTT
SCHEMBL5121029 0.67 RAB9A (0.49) KMT2ALMNANPC1CYP1A2CYP3A4
SCHEMBL854996 0.67 RAB9A (0.61) LMNANPC1CYP1A2CYP3A4CYP2D6
SCHEMBL1250083 0.66 RAB9A (0.56) KMT2AMEN1LMNANPC1CYP1A2

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-10660901-B2 Pyrrolobenzodiazepines and conjugates thereof MERSANA THERAPEUTICS, INC. (US) 2020-05-26 — — US disclosed
US-20190070194-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF MERSANA THERAPEUTICS, INC. 2019-03-07 — — 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-20190070194-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF CD79B, CLTB, FCGR3B KMT2A 1296/4885MEN1 3027/4885LMNA 4231/4885
US-10660901-B2 Pyrrolobenzodiazepines and conjugates thereof CD79B, CLTB, FCGR3B KMT2A 1296/4885MEN1 3027/4885LMNA 4231/4885

“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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