SCHEMBL4307994

SCHEMBL4307994

CC(C)(CO)CNc1c(N)cnc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 2/20 0.44
CYP1A2 P05177 1/20 0.41
MEN1 O00255 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 2/20 0.37
RAD52 P43351 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MITF O75030 1/20 0.37
LMNA P02545 1/20 0.37
TTR P02766 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
GRM5 P41594 1/20 0.36
ATM Q13315 1/20 0.36
NCF1 P14598 1/20 0.35
LRRK2 Q5S007 1/20 0.35
HRH3 Q9Y5N1 2/20 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
SCHEMBL842750 0.86 TLR7 (0.38) CYP1A2MEN1PKMKMT2APOLB
SCHEMBL14345376 0.86 ATM (0.39) NUDT1CYP1A2MEN1PKMKMT2A
SCHEMBL204050 0.84 KMT2A (0.41) MEN1PKMKMT2APOLBKDM4E
SCHEMBL19643692 0.83 MEN1 (0.39) CYP1A2MEN1PKMKMT2AKDM4E
SCHEMBL19643695 0.83 MEN1 (0.39) CYP1A2MEN1PKMKMT2AKDM4E
SCHEMBL12665011 0.81 POLB (0.44) MEN1PKMKMT2APOLBRAD52
SCHEMBL8726008 0.81 CYP1A2 (0.46) CYP1A2MEN1PKMKMT2APOLB
SCHEMBL204017 0.80 MEN1 (0.48) MEN1PKMKMT2AGAARAB9A
SCHEMBL4313344 0.80 MAPT (0.40) NUDT1CYP1A2MEN1PKMKMT2A
SCHEMBL30361640 0.80 MAPT (0.40) NUDT1CYP1A2MEN1PKMKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250222117-A1 COMPOUND COMPRISING RALTITREXED OR 5-MTHF LINKED TO A THERAPEUTIC AGENT, COMPOSITION, AND METHOD OF USE PURDUE RESEARCH FOUNDATION 2025-07-10 US disclosed
US-20240390505-A1 CONJUGATES, COMPOSITIONS, AND METHODS FOR REJUVENATION OF CAR T-CELLS PURDUE RESEARCH FOUNDATION 2024-11-28 US disclosed
CN-118871104-A Compounds, compositions, and methods of use comprising raltitrexed or 5-MTHF linked to a therapeutic agent 普渡研究基金会 2024-10-29 CN disclosed
CN-118139627-A Conjugates, compositions and methods for rejuvenating CAR T cells 普渡研究基金会 2024-06-04 CN disclosed
US-20230248835-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR THE TREATMENT OF FIBROTIC DISEASES AND CANCER PURDUE RESEARCH FOUNDATION 2023-08-10 US disclosed
US-20230248835-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR THE TREATMENT OF FIBROTIC DISEASES AND CANCER PURDUE RESEARCH FOUNDATION 2023-08-10 US disclosed
US-20230248835-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR THE TREATMENT OF FIBROTIC DISEASES AND CANCER PURDUE RESEARCH FOUNDATION 2023-08-10 US disclosed
EP-4178574-A2 COMPOUNDS, COMPOSITIONS, AND METHODS FOR THE TREATMENT OF FIBROTIC DISEASES AND CANCER Purdue Research Foundation (US) 2023-05-17 EP disclosed
CN-115916342-A Compounds, compositions and methods for treating fibrotic diseases and cancer 普渡研究基金会 2023-04-04 CN disclosed
WO-2022147576-A1 METHODS FOR ENHANCEMENT OF ENGINEERED CELL THERAPIES IN CANCER TREATMENT PURDUE RESEARCH FOUNDATION (US) 2022-07-07 WO disclosed
US-8735421-B2 Imidazoquinolinyl sulfonamides 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-05-27 US disclosed
US-20090062272-A1 IMIDAZOQUINOLINYL SULFONAMIDES 3M INNOVATIVE PROPERTIES COMPANY 2009-03-05 US disclosed
EP-1699788-A2 IMIDAZOQUINOLINYL, IMIDAZOPYRIDINYL AND IMIDAZONAPHTHYRIDINYL SULFONAMIDES 3M Innovative Properties Company (US) 2006-09-13 EP disclosed
WO-2005066169-A2 IMIDAZOQUINOLINYL, IMIDAZOPYRIDINYL, AND IMIDAZONAPHTHYRIDINYL SULFONAMIDES 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-07-21 WO 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 (4 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-20230248835-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR THE TREATMENT OF FIBROTIC DISEASES AND CANCER TLR9, TLR8, TLR7 NUDT1 209/4885CYP1A2 4130/4885MEN1 3475/4885
US-20090062272-A1 IMIDAZOQUINOLINYL SULFONAMIDES IL2, EIF2AK2, IFNG NUDT1 1301/4885CYP1A2 2326/4885MEN1 4334/4885
US-20250222117-A1 COMPOUND COMPRISING RALTITREXED OR 5-MTHF LINKED TO A THERAPEUTIC AGENT, COMPOSITION, AND METHOD OF USE MTHFD1, MTHFD2, DHFR NUDT1 33/4885CYP1A2 1555/4885MEN1 2492/4885
US-20240390505-A1 CONJUGATES, COMPOSITIONS, AND METHODS FOR REJUVENATION OF CAR T-CELLS CD47, ICOS, PBK NUDT1 3678/4885CYP1A2 4640/4885MEN1 1724/4885

“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.