SCHEMBL7272830

SCHEMBL7272830

Cc1cc(NCc2ccccc2)n(C)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.52
PI4KB Q9UBF8 1/20 0.52
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
HPGD P15428 2/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
TSHR P16473 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HTT P42858 4/20 0.48
NPSR1 Q6W5P4 1/20 0.48
PDE2A O00408 1/20 0.46
BRD4 O60885 1/20 0.46
BRD9 Q9H8M2 1/20 0.46
NOS2 P35228 1/20 0.44
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL13440656 0.87 BRD4 (0.55) GAAMEN1KMT2ANPC1RAB9A
SCHEMBL3609826 0.84 KDM4E (0.47) GAAMEN1KMT2AHPGDKDM4E
SCHEMBL10119766 0.76 MAPT (0.57) NPC1RAB9ASMN1; SMN2HTTLMNA
SCHEMBL7706472 0.74 GAA (0.67) GAAPI4KBMEN1KMT2ANPC1
SCHEMBL14937937 0.72 KCNN1 (0.50) GAAMEN1KMT2ANPC1RAB9A
SCHEMBL25986167 0.72 SMN1; SMN2 (0.65) GAAMEN1KMT2ASMN1; SMN2HPGD
SCHEMBL7528107 0.70 SMN1; SMN2 (0.46) GAAMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL15711264 0.70 CYP11B1 (0.49) MEN1KMT2ATSHR
SCHEMBL20156432 0.70 SMN1; SMN2 (0.46) GAAMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL3835193 0.70 SMN1; SMN2 (0.46) GAAMEN1KMT2ASMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11492358-B1 Macrocyclic indole derivatives THE BROAD INSTITUTE, INC. (US) 2022-11-08 US disclosed
EP-3458459-B1 MACROCYCLIC INDOLE DERIVATIVES BAYER AG (DE) 2022-04-27 EP disclosed
EP-3458459-B1 MACROCYCLIC INDOLE DERIVATIVES BAYER AG (DE) 2022-04-27 EP disclosed
CN-109715632-B Macrocyclic indole derivatives 拜尔公开股份有限公司 2021-10-26 CN disclosed
US-10981932-B2 Macrocyclic indole derivatives BAYER AKTIENGESELLSCHAFT (DE) 2021-04-20 US disclosed
US-10981932-B2 Macrocyclic indole derivatives BAYER AKTIENGESELLSCHAFT (DE) 2021-04-20 US disclosed
US-20200087322-A1 MACROCYCLIC INDOLE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-03-19 US disclosed
WO-2017198341-A1 MACROCYCLIC INDOLE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2017-11-23 WO disclosed
EP-0114273-B1 NEW PHARMACOLOGICALLY ACTIVE PYRAZOLOPYRIDINES GRUPPO LEPETIT S.p.A. (IT) 1991-11-06 EP disclosed
US-4954508-A HYPOTENSIVE GRUPPO LEPETIT S.P.A. (IT) 1990-09-04 US disclosed
EP-0114273-A1 New pharmacologically active pyrazolopyridines GRUPPO LEPETIT S.p.A. (IT) 1984-08-01 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 (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-11492358-B1 Macrocyclic indole derivatives CCND2, CCNT2, IDO1 GAA 3918/4885PI4KB 3969/4885MEN1 142/4885
US-10981932-B2 Macrocyclic indole derivatives CCND2, IDO1, CCNT2 GAA 4215/4885PI4KB 3709/4885MEN1 114/4885
US-20200087322-A1 MACROCYCLIC INDOLE DERIVATIVES CCND2, CCNA1, CCNT2 GAA 4042/4885PI4KB 3978/4885MEN1 140/4885

“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.