SCHEMBL22495367

SCHEMBL22495367

Nc1ccc(N2CCN(c3ccccn3)CC2)cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLD1 Q13393 1/20 0.50
KCNH2 Q12809 1/20 0.50
PIK3CA P42336 1/20 0.49
MTOR P42345 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
RXFP1 Q9HBX9 1/20 0.48
HK1 P19367 1/20 0.47
HKDC1 Q2TB90 1/20 0.47
KDM4E B2RXH2 3/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
GPR119 Q8TDV5 1/20 0.45

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
SCHEMBL1126513 0.82 HTR1A (0.58) PLD1KCNH2NPC1RAB9AALDH1A1
SCHEMBL22495368 0.81 PLD1 (0.53) PLD1NPC1RAB9AALDH1A1MEN1
SCHEMBL31046000 0.80 GRM1 (0.48) PIK3CAMTORDRD4DHFR
SCHEMBL29857922 0.79 PLD1 (0.73) PLD1KCNH2RAB9AALDH1A1MEN1
SCHEMBL21353591 0.79
SCHEMBL15800694 0.79 PLD1 (0.73) PLD1KCNH2RAB9AALDH1A1MEN1
SCHEMBL21133243 0.78 GCK (0.41) ALDH1A1KMT2AKDM4EMAPTDHFR
SCHEMBL3319562 0.78 KCNH2 (0.73) PLD1KCNH2NPC1RAB9AALDH1A1
SCHEMBL29381819 0.78 KCNH2 (0.73) PLD1KCNH2NPC1RAB9AALDH1A1
SCHEMBL22495247 0.78 PLD1 (0.53) PLD1NPC1RAB9AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3728234-B1 RADIOLABELED COMPOUNDS HOFFMANN LA ROCHE (CH) 2025-05-14 EP disclosed
US-11541132-B2 Radiolabeled compounds HOFFMANN-LA ROCHE INC. (US) 2023-01-03 US disclosed
US-11541132-B2 Radiolabeled compounds HOFFMANN-LA ROCHE INC. (US) 2023-01-03 US disclosed
EP-3728234-A1 RADIOLABELED COMPOUNDS F. Hoffmann-La Roche AG (CH) 2020-10-28 EP disclosed
US-20200316232-A1 RADIOLABELED COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2020-10-08 US disclosed
US-20200316232-A1 RADIOLABELED COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2020-10-08 US disclosed
CN-111511732-A Radiolabelled compounds 豪夫迈·罗氏有限公司 2020-08-07 CN 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-11541132-B2 Radiolabeled compounds SNCA, APP, BACE1 PLD1 1785/4885KCNH2 2688/4885PIK3CA 3399/4885
US-20200316232-A1 RADIOLABELED COMPOUNDS SNCA, APP, BACE1 PLD1 1866/4885KCNH2 2478/4885PIK3CA 3487/4885

“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.