SCHEMBL19637042

SCHEMBL19637042

COc1ccc2c(ccn2C(=O)c2cc(N)cn2C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 1/20 0.55
▸ TFPI2 P48307 1/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ MTNR1A P48039 2/20 0.43
▸ MTNR1B P49286 2/20 0.43
▸ HTR2C P28335 1/20 0.40
▸ ROCK1 Q13464 1/20 0.39
▸ HTR6 P50406 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ FABP4 P15090 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ AKR1C3 P42330 1/20 0.36
▸ AKR1C2 P52895 1/20 0.36
▸ PRKCI P41743 1/20 0.36

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
SCHEMBL19633094 0.84 TFPI2 (0.41) TUBB1TFPI2L3MBTL1HTR2CROCK1
Hydrochloric Acid SCHEMBL19614877 0.78 NAMPT (0.40) KDM4ESMN1; SMN2HTR2CHDAC1HDAC6
SCHEMBL19614900 0.77 TUBB1 (0.47) TUBB1TFPI2KDM4EALDH1A1L3MBTL1
SCHEMBL30464336 0.77 ERBB2 (0.49) TUBB1TFPI2KDM4EALDH1A1L3MBTL1
SCHEMBL19614848 0.77 ERBB2 (0.49) TUBB1TFPI2KDM4EALDH1A1L3MBTL1
SCHEMBL14313067 0.76 TUBB1 (0.60) TUBB1TFPI2KDM4EALDH1A1L3MBTL1
SCHEMBL3917906 0.75 TUBB1 (0.76) TUBB1TFPI2KDM4EALDH1A1L3MBTL1
SCHEMBL31316141 0.74 TUBB1 (0.62) TUBB1TFPI2KDM4EALDH1A1L3MBTL1
SCHEMBL3249823 0.74 TUBB1 (0.62) TUBB1TFPI2KDM4EALDH1A1L3MBTL1
SCHEMBL28550833 0.74 TUBB1 (0.62) TUBB1TFPI2KDM4EALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3458069-B1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF MERSANA THERAPEUTICS INC (US) 2023-07-05 — — EP disclosed
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
US-20170333442-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF MERSANA THERAPEUTICS, INC. 2017-11-23 — — 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 (3 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-20170333442-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF CD79B, CLTB, FCGR3B TUBB1 152/4885TFPI2 2978/4885KDM4E 2041/4885
US-20190070194-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF CD79B, CLTB, FCGR3B TUBB1 152/4885TFPI2 2978/4885KDM4E 2041/4885
US-10660901-B2 Pyrrolobenzodiazepines and conjugates thereof CD79B, CLTB, FCGR3B TUBB1 152/4885TFPI2 2978/4885KDM4E 2041/4885

“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.

Send feedback