Aminopurvalanol

Aminopurvalanol

SCHEMBL2170683

CC(C)[C@H](CO)Nc1nc(Nc2cc(N)cc(Cl)c2)c2ncn(C(C)C)c2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 8/20 1.00
CCNB1 P14635 4/20 1.00
KDM4E B2RXH2 3/20 1.00
CCNB2 O95067 3/20 1.00
ALDH1A1 P00352 3/20 1.00
CCNB3 Q8WWL7 3/20 1.00
CLK1 P49759 3/20 1.00
MEN1 O00255 2/20 1.00
TP53 P04637 2/20 1.00
CYP1A2 P05177 2/20 1.00
CYP3A4 P08684 2/20 1.00
MAPT P10636 2/20 1.00
CYP2C9 P11712 2/20 1.00
TSHR P16473 2/20 1.00
MAPK1 P28482 2/20 1.00
KMT2A Q03164 2/20 1.00
HPGD P15428 1/20 1.00
TDP1 Q9NUW8 1/20 1.00
CDK5 Q00535 12/20 0.77
CDK5R1 Q15078 12/20 0.77

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
Aminopurvalanol SCHEMBL29386084 1.00 CDK1 (1.00) CDK1CCNB1KDM4ECCNB2ALDH1A1
Aminopurvalanol SCHEMBL23752328 1.00 CDK1 (1.00) CDK1CCNB1KDM4ECCNB2ALDH1A1
Aminopurvalanol SCHEMBL21168739 1.00 CDK1 (1.00) CDK1CCNB1KDM4ECCNB2ALDH1A1
Purvalanola SCHEMBL30375366 0.87 CDK5 (1.00) CDK1CCNB1KDM4ECCNB2ALDH1A1
Purvalanola SCHEMBL1217069 0.87 CDK5 (1.00) CDK1CCNB1KDM4ECCNB2ALDH1A1
Purvalanola SCHEMBL29360281 0.87 CDK5 (1.00) CDK1CCNB1KDM4ECCNB2ALDH1A1
Purvalanola SCHEMBL3311119 0.87 CDK5 (1.00) CDK1CCNB1KDM4ECCNB2ALDH1A1
SCHEMBL2170687 0.86 CDK1 (0.76) CDK1CCNB1KDM4ECCNB2ALDH1A1
SCHEMBL20028216 0.84 CLK1 (0.72) CDK1CCNB1KDM4ECCNB2ALDH1A1
SCHEMBL3445809 0.83 CDK1 (0.71) CDK1CCNB1KDM4ECCNB2ALDH1A1

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 94 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12187698-B2 Crystalline forms of C21H22Cl2N4O2 BIOMED VALLEY DISCOVERIES, INC. (US) 2025-01-07 US claimed
WO-2024026505-A2 DISRUPTION OF TELOCYTE ACTIVITY PATEL AMIT (US) 2024-02-01 WO claimed
US-20230035479-A1 METHODS AND COMPOSITIONS FOR REDUCING HAIR GREYING PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2023-02-02 US claimed
US-20220324832-A1 CRYSTALLINE FORMS OF C21H22Cl2N4O2 VERTEX PHARMACEUTICALS INCORPORATED 2022-10-13 US claimed
CN-107904201-B Differentiation of human embryonic stem cells into the pancreatic endocrine lineage 詹森生物科技公司 2021-11-16 CN claimed
EP-2346988-B1 DIFFERENTIATION OF HUMAN EMBRYONIC STEM CELLS TO THE PANCREATIC ENDOCRINE LINEAGE JANSSEN BIOTECH INC (US) 2017-05-31 EP claimed
EP-3521419-B1 METHOD FOR PRODUCING BROWN ADIPOCYTES AND COMPOSITION KYOTO PREFECTURAL PUBLIC UNIV CORP (JP) 2026-03-18 EP disclosed
US-20260000714-A1 C. NOVYI FOR THE TREATMENT OF SOLID TUMORS IN NON-HUMAN ANIMALS BIOMED VALLEY DISCOVERIES INC (US) 2026-01-01 US disclosed
EP-4662319-A2 PERSONALIZED CRISPR PROFILING FOR CANCER Integrate Bioscience LLC (US) 2025-12-17 EP disclosed
EP-4653054-A2 C. NOVYI FOR THE TREATMENT OF SOLID TUMORS IN HUMANS Biomed Valley Discoveries, Inc. (US) 2025-11-26 EP disclosed
US-12433920-B2 C. novyi for the treatment of solid tumors in non-human animals BIOMED VALLEY DISCOVERIES, INC. (US) 2025-10-07 US disclosed
EP-4108248-B1 C. NOVYI FOR THE TREATMENT OF SOLID TUMORS IN HUMANS BIOMED VALLEY DISCOVERIES INC (US) 2025-09-17 EP disclosed
US-12415986-B2 Production method for neuron-like cells KATAOKA CORPORATION (JP) 2025-09-16 US disclosed
US-9234178-B2 Differentiation of human pluripotent stem cells JANSSEN BIOTECH, INC. (US) 2016-01-12 US disclosed
EP-2346988-A1 DIFFERENTIATION OF HUMAN EMBRYONIC STEM CELLS TO THE PANCREATIC ENDOCRINE LINEAGE Centocor Ortho Biotech Inc. (US) 2011-07-27 EP disclosed
US-20100311767-A1 Method for the treatment of amyloidoses ABBOTT GMBH & CO. KG (DE) 2010-12-09 US disclosed
US-20100311767-A1 Method for the treatment of amyloidoses ABBOTT GMBH & CO. KG (DE) 2010-12-09 US disclosed
US-20100112693-A1 Differentiation of Human Embryonic Stem Cells CENTOCOR ORTHO BIOTECH, INC. 2010-05-06 US disclosed
WO-2010051223-A1 DIFFERENTIATION OF HUMAN EMBRYONIC STEM CELLS TO THE PANCREATIC ENDOCRINE LINEAGE CENTOCOR ORTHO BIOTECH INC. (US) 2010-05-06 WO disclosed
WO-2008104386-A2 METHOD FOR THE TREATMENT OF AMYLOIDOSES ABBOTT GMBH & CO. KG (DE) 2008-09-04 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 (5 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-20220324832-A1 CRYSTALLINE FORMS OF C21H22Cl2N4O2 CYP2F1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CA4 CDK1 248/4885CCNB1 75/4885KDM4E 4194/4885
US-12433920-B2 C. novyi for the treatment of solid tumors in non-human animals MKI67, HCCS, NCF1 CDK1 2594/4885CCNB1 1215/4885KDM4E 3726/4885
US-20100311767-A1 Method for the treatment of amyloidoses APP, PSEN1, CACNA1G CDK1 4617/4885CCNB1 4054/4885KDM4E 3926/4885
US-12187698-B2 Crystalline forms of C21H22Cl2N4O2 CYP2F1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CA4 CDK1 248/4885CCNB1 75/4885KDM4E 4194/4885
US-20260000714-A1 C. NOVYI FOR THE TREATMENT OF SOLID TUMORS IN NON-HUMAN ANIMALS KIT, CPA3, MKI67 CDK1 639/4885CCNB1 160/4885KDM4E 1730/4885

“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.