SCHEMBL219046

SCHEMBL219046

Cc1cc(Nc2nc(Cl)nc(Cl)c2F)n[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 5/20 0.59
PLK4 O00444 4/20 0.59
MEN1 O00255 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
HSD17B10 Q99714 1/20 0.50
NTRK1 P04629 8/20 0.47
JAK2 O60674 6/20 0.47
JAK3 P52333 5/20 0.47
AURKA O14965 4/20 0.47
RET P07949 2/20 0.47
FGFR1 P11362 2/20 0.47
FLT3 P36888 2/20 0.47
PTK2 Q05397 2/20 0.47
TNK2 Q07912 2/20 0.47
AURKB Q96GD4 2/20 0.47
STK10 O94804 1/20 0.47
FER P16591 1/20 0.47
CSNK2A2 P19784 1/20 0.47
JAK1 P23458 1/20 0.47

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
SCHEMBL588674 0.85 PAK4 (0.62) PAK4PLK4MEN1HTTKMT2A
SCHEMBL22600946 0.82 PAK4 (0.59) PAK4PLK4MEN1HTTKMT2A
SCHEMBL11898354 0.82 PAK4 (0.50) PAK4PLK4MEN1HTTKMT2A
SCHEMBL173559 0.82 PAK4 (0.55) PAK4PLK4MEN1HTTKMT2A
SCHEMBL218646 0.82 PLK4 (0.40) PAK4PLK4MEN1HTTKMT2A
SCHEMBL219284 0.81 PAK4 (0.49) PAK4PLK4MEN1HTTKMT2A
SCHEMBL219315 0.78 PLK4 (0.58) PAK4PLK4MEN1HTTKMT2A
SCHEMBL3939475 0.78 PAK4 (0.56) PAK4PLK4MEN1HTTKMT2A
SCHEMBL20943801 0.77 PAK4 (0.47) PAK4PLK4MEN1HTTKMT2A
SCHEMBL219543 0.77 JAK3 (0.59) PAK4PLK4NTRK1JAK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3959213-B1 PYRIMIDINE JAK INHIBITORS FOR THE TREATMENT OF SKIN DISEASES THERAVANCE BIOPHARMA R&D IP LLC (US) 2024-06-05 EP disclosed
CN-117355508-A Heterocyclic derivative and application thereof in medicine 西藏海思科制药有限公司 2024-01-05 CN disclosed
US-11439641-B2 Pyrimidine JAK inhibitors for the treatment of skin diseases THERAVANCE BIOPHARMA R&D IP, LLC (US) 2022-09-13 US disclosed
WO-2022078305-A1 HETEROCYCLIC DERIVATIVE AND MEDICAL APPLICATION THEREOF 四川海思科制药有限公司 2022-04-21 WO disclosed
WO-2022078305-A1 HETEROCYCLIC DERIVATIVE AND MEDICAL APPLICATION THEREOF 四川海思科制药有限公司 2022-04-21 WO disclosed
EP-3959213-A1 PYRIMIDINE JAK INHIBITORS FOR THE TREATMENT OF SKIN DISEASES Theravance Biopharma R&D IP, LLC (US) 2022-03-02 EP disclosed
WO-2020219640-A1 PYRIMIDINE JAK INHIBITORS FOR THE TREATMENT OF SKIN DISEASES THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-10-29 WO disclosed
US-20200338073-A1 PYRIMIDINE JAK INHIBITORS FOR THE TREATMENT OF SKIN DISEASES THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-10-29 US disclosed
WO-2020219640-A1 PYRIMIDINE JAK INHIBITORS FOR THE TREATMENT OF SKIN DISEASES THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-10-29 WO disclosed
EP-1945631-B1 4- (3-AMINOPYRAZOLE) PYRIMIDINE DERIVATIVES FOR USE AS TYROSINE KINASE INHIBITORS IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2012-08-08 EP disclosed
US-20120071480-A1 4-(3-AMINOPYRAZOLE) PYRIMIDINE DERIVATIVES FOR USE AS TYROSINE KINASE INHIBITORS IN THE TREATMENT OF CANCER ASTRAZENECA R&D (SE) 2012-03-22 US disclosed
US-8088784-B2 4-(3-aminopyrazole) pyrimidine derivatives for use as tyrosine kinase inhibitors in the treatment of cancer ASTRAZENECA AB (SE) 2012-01-03 US disclosed
EP-2388259-A1 4- (3-aminopyrazole) pyrimidine derivatives for use as tyrosine kinase inhibitors in the treatment of cancer AstraZeneca AB (SE) 2011-11-23 EP disclosed
US-8040733-B2 Non-volatile memory device and method of operating the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-10-18 US disclosed
US-20100160325-A1 4-(3-AMINOPYRAZOLE) PYRIMIDINE DERIVATIVES FOR USE AS TYROSINE KINASE INHIBITORS IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2010-06-24 US disclosed
US-20080287475-A1 4-(3-Aminopyrazole) Pyrimidine Derivatives for Use as Tyrosine Kinase Inhibitors in the Treatment of Cancer ASTRAZENECA AB (SE) 2008-11-20 US disclosed
EP-1945631-A1 4- (3-AMINOPYRAZOLE) PYRIMIDINE DERIVATIVES FOR USE AS TYROSINE KINASE INHIBITORS IN THE TREATMENT OF CANCER AstraZeneca AB (SE) 2008-07-23 EP disclosed
WO-2007049041-A1 4- (3-AMINOPYRAZOLE) PYRIMIDINE DERIVATIVES FOR USE AS TYROSINE KINASE INHIBITORS IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2007-05-03 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-11439641-B2 Pyrimidine JAK inhibitors for the treatment of skin diseases JAK1, JAK3, JAK2 PAK4 631/4885PLK4 1159/4885MEN1 4376/4885
US-20080287475-A1 4-(3-Aminopyrazole) Pyrimidine Derivatives for Use as Tyrosine Kinase Inhibitors in the Treatment of Cancer ABL1, FLT3, ERBB2 PAK4 195/4885PLK4 291/4885MEN1 3874/4885
US-20200338073-A1 PYRIMIDINE JAK INHIBITORS FOR THE TREATMENT OF SKIN DISEASES JAK1, JAK3, JAK2 PAK4 631/4885PLK4 1159/4885MEN1 4376/4885
US-20120071480-A1 4-(3-AMINOPYRAZOLE) PYRIMIDINE DERIVATIVES FOR USE AS TYROSINE KINASE INHIBITORS IN THE TREATMENT OF CANCER ABL1, FLT3, ERBB2 PAK4 197/4885PLK4 290/4885MEN1 3673/4885
US-20100160325-A1 4-(3-AMINOPYRAZOLE) PYRIMIDINE DERIVATIVES FOR USE AS TYROSINE KINASE INHIBITORS IN THE TREATMENT OF CANCER ABL1, FLT3, ERBB2 PAK4 195/4885PLK4 291/4885MEN1 3874/4885

“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.