SCHEMBL4354437

SCHEMBL4354437

c1ccc(CNc2ncnc3[nH]ccc23)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.68
JAK1 P23458 1/20 0.68
HDAC6 Q9UBN7 1/20 0.64
LMNA P02545 4/20 0.62
EGFR P00533 5/20 0.60
TTBK1 Q5TCY1 4/20 0.60
TTBK2 Q6IQ55 4/20 0.60
GALR3 O60755 2/20 0.60
NR2F2 P24468 2/20 0.60
RAB9A P51151 1/20 0.60
TSHR P16473 2/20 0.59
MAPK1 P28482 2/20 0.59
HTT P42858 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
AURKB Q96GD4 1/20 0.56
RET P07949 1/20 0.56
CDC7 O00311 1/20 0.55
DBF4 Q9UBU7 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55

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
SCHEMBL24804993 0.86 HDAC6 (0.66) JAK2JAK1HDAC6LMNAEGFR
SCHEMBL22346237 0.86 HDAC6 (0.62) JAK2JAK1HDAC6LMNAEGFR
SCHEMBL8505023 0.85 TTBK1 (0.75) JAK2JAK1LMNAEGFRTTBK1
SCHEMBL17527397 0.81 TTBK1 (0.65) HDAC6EGFRTTBK1TTBK2NR2F2
SCHEMBL26784713 0.79 AURKB (0.58) JAK2JAK1HDAC6LMNATTBK1
SCHEMBL24805950 0.78 HDAC6 (0.60) JAK2JAK1HDAC6EGFRTTBK1
SCHEMBL4544686 0.77 LMNA (0.61) JAK2JAK1LMNAEGFRGALR3
SCHEMBL28762132 0.77 TTBK1 (0.56) HDAC6TTBK1TTBK2
SCHEMBL22347023 0.77 TSHR (0.63) HDAC6LMNAEGFRRAB9ATSHR
SCHEMBL20119913 0.77 POLB (0.66) HDAC6LMNARAB9ATSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009070328-A1 MODULATORS OF THE EPIDERMAL GROWTH FACTOR RECEPTOR (EGFR) PATHWAY FOR USE IN THE TREATMENT OR PREVENTION OF SUBSTANCE ABUSE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-06-04 WO disclosed
US-6713484-B2 FUSED RING PYRIMIDINE DERIVATIVES; LOW CYTOTOXICITY WARNER-LAMBERT COMPANY 2004-03-30 US disclosed
US-20030186987-A1 Bicyclic compounds capable of inhibiting tyrosine kinases of the epidermal growth factor receptor family BRIDGES ALEXANDER JAMES (US) 2003-10-02 US disclosed
US-6521620-B1 Suppressing tumors, especially breast cancers; antiproli-ferative agents; arthritis, vascular restenosis, psoriasis and angiogenesis; extremely low cytotoxicity WARNER-LAMBERT COMPANY 2003-02-18 US disclosed
US-6455534-B2 ANTIPROLIVERATIVE, -CARCINOGENIC AND -TUMOR AGENTS; MITOGENESIS-ACTIVATED PROTEIN KINASE INHIBITORS; NONCYTOTOXIC; BINDING WITH HIGH AFFINITY AT THE ADENOSINE TRIPHOSPHATE BINDING SITE OF THE KINASES WARNER-LAMBERT COMPANY 2002-09-24 US disclosed
US-20010027197-A1 Bicyclic compounds capable of inhibiting tyrosine kinases of the epidermal growth factor receptor family BRIDGES ALEXANDER JAMES (US) 2001-10-04 US disclosed
US-6265410-B1 ANTICARCINOGENIC AGENTS WARNER-LAMBERT COMPANY 2001-07-24 US disclosed
US-6084095-A INCLUDING 6-AMINO-4-(3-BROMOANILINO)PYRIDO(3,2-D)PYRIMIDINE; 4-(3-BROMOANILINO)-6-METHYLAMINOPYRIDO (3,2-D)PYRIMIDINE; AND 4-(3-BROMOANILINO)-6-METHYLAMINOPYRIDO(3,2-D)PYRIMIDINE; USEFUL IN TREATING PROLIFERATIVE DISEASES SUCH AS CANCER WARNER-LAMBERT COMPANY (US) 2000-07-04 US disclosed
US-5654307-A ANTICARCINOGENIC AGENTS, ANTIARTHRITIC AGENT, SKIN DISORDERS WARNER-LAMBERT COMPANY (US) 1997-08-05 US disclosed
EP-0742717-A1 BICYCLIC COMPOUNDS CAPABLE OF INHIBITING TYROSINE KINASES OF THE EPIDERMAL GROWTH FACTOR RECEPTOR FAMILY WARNER-LAMBERT COMPANY (US) 1996-11-20 EP disclosed
WO-1995019774-A1 BICYCLIC COMPOUNDS CAPABLE OF INHIBITING TYROSINE KINASES OF THE EPIDERMAL GROWTH FACTOR RECEPTOR FAMILY WARNER-LAMBERT COMPANY (US) 1995-07-27 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 (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-20010027197-A1 Bicyclic compounds capable of inhibiting tyrosine kinases of the epidermal growth factor receptor family EGFR, ERBB2, ERBB3 JAK2 168/4885JAK1 309/4885HDAC6 2566/4885
US-20030186987-A1 Bicyclic compounds capable of inhibiting tyrosine kinases of the epidermal growth factor receptor family EGFR, ERBB2, ERBB3 JAK2 147/4885JAK1 215/4885HDAC6 3295/4885

“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.