SCHEMBL5962874

SCHEMBL5962874

COc1ccc2c(c1)C(=O)N1CCCC1C=N2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ GABRA1 P14867 1/20 0.41
▸ GABRG2 P18507 1/20 0.41
▸ GABRB3 P28472 1/20 0.41
▸ GABRA5 P31644 1/20 0.41
▸ GABRA3 P34903 1/20 0.41
▸ GABRA2 P47869 1/20 0.41
▸ PMP22 Q01453 1/20 0.41
▸ GABRA6 Q16445 1/20 0.41
▸ HTR2A P28223 2/20 0.40
▸ HTR2C P28335 2/20 0.40
▸ HTR2B P41595 2/20 0.40
▸ ERBB2 P04626 1/20 0.38
▸ ACHE P22303 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
SCHEMBL2600442 1.00 KMT2A (0.41) KMT2ACYP1A2MEN1MAPK1HIF1A
SCHEMBL30887629 0.96 HTR2A (0.40) KMT2ACYP1A2MEN1MAPK1HIF1A
SCHEMBL5962787 0.91 ERBB2 (0.36) KMT2ACYP1A2MEN1MAPK1HIF1A
SCHEMBL19339957 0.90 HTR2C (0.40) KMT2ACYP1A2MEN1MAPK1HIF1A
SCHEMBL20468018 0.82 ERBB2 (0.38) KMT2AERBB2HRASMAPT
SCHEMBL18232120 0.82 ERBB2 (0.38) KMT2AERBB2HRASMAPT
SCHEMBL4408064 0.82 ERBB2 (0.50) KMT2AMEN1MAPK1HSD17B10HTR2A
SCHEMBL12364479 0.82 ERBB2 (0.50) KMT2AMEN1MAPK1HSD17B10HTR2A
SCHEMBL1149405 0.79 ERBB2 (0.46) KMT2AMEN1HTR2AHTR2CHTR2B
SCHEMBL14421001 0.79 ERBB2 (0.46) KMT2AMEN1HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115124573-A Novel cytotoxic molecules for use in cell binding molecule-drug conjugates 杭州多禧生物科技有限公司 2022-09-30 — — CN disclosed
CN-107074879-B Novel cytotoxic molecules for use in cell binding molecule-drug conjugates 杭州多禧生物科技有限公司 2022-04-15 — — CN disclosed
US-7067511-B2 Pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2006-06-27 — — US disclosed
US-7049311-B1 Pyrrolbenzodiazepines SPIROGEN LIMITED (GB) 2006-05-23 — — US disclosed
EP-1109812-B1 PYRROLOBENZODIAZEPINES SPIROGEN LTD (GB) 2005-05-04 — — EP disclosed
EP-1413582-A1 Dimeric pyrrolobenzodiazepines Spirogen Limited (GB) 2004-04-28 — — EP disclosed
US-20030120069-A1 Pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2003-06-26 — — US disclosed
EP-1193270-A2 Pyrrolobenzodiazepines Spirogen Limited (GB) 2002-04-03 — — 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 (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-20030120069-A1 Pyrrolobenzodiazepines CNR1, CBX2, CNR2 KMT2A 2390/4885CYP1A2 260/4885MEN1 3894/4885

“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