SCHEMBL19632653

SCHEMBL19632653

Cc1cccc(-c2cc(C)[nH]n2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.69
ALK Q9UM73 1/20 0.59
IDO1 P14902 1/20 0.56
METAP2 P50579 1/20 0.56
NPC1 O15118 4/20 0.55
RAB9A P51151 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
NOTUM Q6P988 1/20 0.47
PDE10A Q9Y233 1/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ALOX15 P16050 3/20 0.46
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MEN1 O00255 1/20 0.46
NFKB1 P19838 1/20 0.46
CASP1 P29466 1/20 0.46
CASP3 P42574 1/20 0.46
NFKB2 Q00653 1/20 0.46

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
SCHEMBL14985490 0.82 IDO1 (0.50) L3MBTL1ALKIDO1METAP2NPC1
SCHEMBL427627 0.82 L3MBTL1 (1.00) L3MBTL1ALKNPC1RAB9ASMN1; SMN2
SCHEMBL4116250 0.81 L3MBTL1 (0.65) L3MBTL1ALKIDO1NPC1RAB9A
SCHEMBL16115554 0.81 NPC1 (0.66) L3MBTL1ALKIDO1METAP2NPC1
SCHEMBL17279800 0.81 RAB9A (0.56) L3MBTL1IDO1METAP2NPC1RAB9A
SCHEMBL16682100 0.81 L3MBTL1 (0.65) L3MBTL1ALKMETAP2NPC1RAB9A
SCHEMBL14726245 0.81 IDO1 (0.53) L3MBTL1ALKIDO1METAP2NPC1
SCHEMBL23773640 0.81 IDO1 (0.49) L3MBTL1ALKIDO1METAP2NPC1
SCHEMBL15006259 0.80 RAB9A (0.70) L3MBTL1IDO1METAP2NPC1RAB9A
SCHEMBL29335678 0.80 RAB9A (0.55) L3MBTL1IDO1METAP2NPC1RAB9A

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
US-20230135152-A1 PIKFYVE KINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-05-04 US disclosed
US-20230135152-A1 PIKFYVE KINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-05-04 US disclosed
US-20230135152-A1 PIKFYVE KINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-05-04 US disclosed
EP-4103281-A1 PIKFYVE KINASE INHIBITORS Acurastem Inc. (US) 2022-12-21 EP disclosed
WO-2021163727-A1 PIKFYVE KINASE INHIBITORS AcuraStem Incorporated (US) 2021-08-19 WO disclosed
WO-2021163727-A1 PIKFYVE KINASE INHIBITORS AcuraStem Incorporated (US) 2021-08-19 WO disclosed
US-20180133221-A1 ADMINISTRATION OF UBIQUITIN-ACTIVATING ENZYME INHIBITOR AND CHEMOTHERAPEUTIC AGENTS MILLENNIUM PHARMACEUTICALS, INC. 2018-05-17 US disclosed
US-20170333434-A1 ADMINISTRATION OF UBIQUITIN-ACTIVATING ENZYME INHIBITOR AND RADIATION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-11-23 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 (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-20230135152-A1 PIKFYVE KINASE INHIBITORS PIKFYVE, PIP5K1B, PIP5K1C L3MBTL1 2305/4885ALK 894/4885IDO1 3172/4885
US-20170333434-A1 ADMINISTRATION OF UBIQUITIN-ACTIVATING ENZYME INHIBITOR AND RADIATION UBE2E1, UBA1, USP1 L3MBTL1 2609/4885ALK 4363/4885IDO1 809/4885
US-20180133221-A1 ADMINISTRATION OF UBIQUITIN-ACTIVATING ENZYME INHIBITOR AND CHEMOTHERAPEUTIC AGENTS USP1, UBA1, UBE2E1 L3MBTL1 2663/4885ALK 4308/4885IDO1 1047/4885

“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.