SCHEMBL3781871

SCHEMBL3781871

Cc1n[nH]c2ccnc(Nc3ccc(N4CCCC4=O)cc3)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIP4K2A P48426 3/20 0.48
PIP4K2C Q8TBX8 1/20 0.47
PKM P14618 1/20 0.42
TNKS O95271 1/20 0.41
TNIK Q9UKE5 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
HTT P42858 1/20 0.41
CD38 P28907 1/20 0.40
GAA P10253 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
HPGDS O60760 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
IDO1 P14902 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
CDK2 P24941 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
SCHEMBL3769241 0.78 CDK2 (0.48) PIP4K2CPKMTNIKSMN1; SMN2HTT
SCHEMBL3774961 0.78 CCNE1 (0.48) CDK2
SCHEMBL3775329 0.76 LRRK2 (0.61) SMN1; SMN2NPC1HTTMAPT
SCHEMBL3774496 0.75 GRM5 (0.47) NPC1MEN1KMT2AHPGD
SCHEMBL3775370 0.74 LRRK2 (0.63) SMN1; SMN2MEN1KMT2ACDK2
SCHEMBL3763899 0.74 GRM4 (0.51) NPC1MEN1KMT2AMAPTLMNA
SCHEMBL3766328 0.74 IGF1R (0.46) L3MBTL1
SCHEMBL3774568 0.74 ALDH1A1 (0.53) SMN1; SMN2NPC1HTTMEN1KMT2A
SCHEMBL3774794 0.74 GRM4 (0.50) HTTMEN1KMT2AMAPTHPGD
SCHEMBL3768540 0.73 AXL (0.43)

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
US-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 US disclosed
US-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 US disclosed
US-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 US disclosed
EP-2408772-B1 COMPOUNDS MEDICAL RES COUNCIL TECHNOLOGY (GB) 2015-07-01 EP disclosed
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 US disclosed
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 US disclosed
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 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 (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-20170320870-A1 COMPOUNDS CBR3, CNR1, HCAR3 PIP4K2A 3436/4885PIP4K2C 3162/4885PKM 4638/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 PIP4K2A 3403/4885PIP4K2C 3143/4885PKM 4640/4885

“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.