SCHEMBL5963318

SCHEMBL5963318

O=C1c2cc(-c3ccccc3)ccc2N=C[C@@H]2CCCN12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 2/20 0.41
▸ GABRG2 P18507 2/20 0.41
▸ GABRB3 P28472 2/20 0.41
▸ GABRA5 P31644 1/20 0.41
▸ GABRA3 P34903 1/20 0.41
▸ GABRA2 P47869 1/20 0.41
▸ GABRA4 P48169 1/20 0.41
▸ HRH3 Q9Y5N1 2/20 0.36
▸ CDK5 Q00535 2/20 0.35
▸ CDK5R1 Q15078 2/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ APAF1 O14727 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ XBP1 P17861 1/20 0.34
▸ PTBP1 P26599 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
SCHEMBL5962787 0.86 ERBB2 (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL3266517 0.83 ALDH1A1 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL3269541 0.83 ALDH1A1 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL30887629 0.74 HTR2A (0.40) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL14963955 0.74 ERBB2 (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL18232120 0.73 ERBB2 (0.38) MAPTKMT2A
SCHEMBL20468018 0.73 ERBB2 (0.38) MAPTKMT2A
SCHEMBL5962947 0.73 CRBN (0.36) HRH3NPC1RAB9AALDH1A1HPGD
SCHEMBL14963961 0.73 ERBB2 (0.38) HRH3MEN1KMT2AALDH1A1
SCHEMBL2619564 0.72 ERBB2 (0.37) GABRA1GABRG2GABRB3GABRA5GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 GABRA1 65/4885GABRG2 138/4885GABRB3 42/4885

“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